1. Bangle, R. E.; Meyer, G. J.  Factors that Control the Direction of Excited State Electron Transfer at Dye-Sensitized Oxide Interfaces.  J. Phys. Chem. C  2019, ASAP.  http://dx.doi.org/10.1021/acs.jpcc.9b06755
  2. Wang, D.; Niu, F.; Mortelliti, M. J.; Sheridan, M. V.; Sherman, B. D.; Zhu, Y.; McBride, J. R.; Dempsey, J. L.; Shen, S.; Dares, C. J.; Li, F.; Meyer, T. J. A stable dye-sensitized photoelectrosynthesis cell mediated by a NiO overlayer for water oxidation. Proc. Natl. Acad. Sci. USA 2019, ASAP. http://dx.doi.org/10.1073/pnas.1821687116
  3. James, E. M.; Bennett, M. T.; Bangle, R. E.; Meyer, G. J. Electron Localization and Transport in SnO2/TiO2 Mesoporous Thin Films: Evidence for a
    SnO2/SnχTi1-χO2/TiO2 Structure. Langmuir 2019, 35 (39), 12694-12703. http://dx.doi.org/10.1021/acs.langmuir.9b02216
  4. Mortelliti, M. J.; Wang, A. N.; Dempsey, J. L. Atomic Layer Deposition of SnOx onto Mesoporous, Nanocrsytalline TiO2 and SnO2 Thin Films. Polyhedron 2019, 171, 433-447.  http://dx.doi.org/10.1016/j.poly.2019.07.021
  5. Schneider, J.; Bangle, R. E.; Swords, W. B.; Troian-Gautier, L.; Meyer, G. J. Determination of Proton-Coupled Electron Transfer Reorganization Energies with Application to Water Oxidation Catalysts. J. Am. Chem. Soc.  2019, 141 (25), 9758-9763. ​http://dx.doi.org/10.1021/jacs.9b01296
  6. Li, L.; Kanai, Y. Modeling Electron Injection at Semiconductor-Molecule Interfaces using First-Principles Dynamics Simulation: Effects of Nonadiabatic Coupling, Self-energy, and Surface Models. J. Phys. Chem. C  2019, 123 (21), 13295-13303. ​http://dx.doi.org/10.1021/acs.jpcc.9b01820
  7. Wang, D.; Sampaio, R. N.; Troian-Gautier, L.; Marquard, S. L.; Farnum, B. H.; Sherman, B. D.; Sheridan, M. V.; Dares, C. J.; Meyer, G. J.; Meyer, T. J.  A Molecular Photoelectrode for Water Oxidation Inspired by Photosystem II.  J. Am. Chem. Soc.  2019, 141 (19), 7926–7933.  http://dx.doi.org/10.1021/jacs.9b02548
  8. Gonell, S. G.; Massey, M. D.; Moseley, I. P.; Schauer, C. K.; Muckerman, J. T.; Miller, A. J. M.  Trans Effect in Electrocatalytic CO2 Reduction: Mechanistic Studies of Asymmetric Ruthenium Pyridyl-Carbene Catalysts. J. Am. Chem. Soc. 2019, 141 (16), 6658-6671. http://dx.doi.org/10.1021/jacs.9b01735
  9. Wang, D.; Wang, Y.; Brady, M. D.; Sheridan, M. V.; Sherman, B. D.; Farnum, B. H.; Liu, Y.; Marquard, S. L.; Meyer, G. J.; Dares, C. J.; Meyer, T. J. A Donor-Chromophore-Catalyst Assembly for Solar CO2 Reduction. Chem. Sci. 2019, 10, 4436-4444. http://dx.doi.org/10.1039/c8sc03316a
  10. Troian-Gautier, L.; Turlington, M. D.; Wehlin, S. A. M.; Maurer, A. B.; Brady, M. D.; Swords, W. B.; Meyer, G. J. Halide Photoredox Chemistry. Chem. Rev. 2019, 119 (7), 4628–4683. http://dx.doi.org/10.1021/acs.chemrev.8b00732
  11. Liu, Q.; Wang, D.; Sherman, B. D.; Marquard, S. L.; Eberhart, M. S.; Liu, M.; Li, C.; Meyer, T. J. Light-driven water oxidation by a dye-sensitized photoanode with a chromophore/catalyst assembly on a mesoporous double-shell electrode. J. Chem. Phys. 2019, 150 (4), 041727. http://dx.doi.org/10.1063/1.5048780
  12. Wong, J. C.; Li, L.; Kanai, Y. Size Dependence and Role of Decoherence in Hot Electron Relaxation within Fluorinated Silicon Quantum Dots: A First-Principles Study.  J. Phys. Chem. C  2018, 122 (51), 29526-29536. http://dx.doi.org/10.1021/acs.jpcc.8b08030
  13. Wang, Y.; Gonell, S. G.; Mathiyazhagan, U. R.; Liu, Y.; Wang, D.; Miller, A. J. M.; Meyer, T. J. Simultaneous Electrosynthesis of Syngas and an Aldehyde from CO2 and an Alcohol by Molecular Electrocatalysis. ACS Appl. Energy Mater. 2019, (1), 97-101. http://dx.doi.org/10.1021/acsaem.8b01616
  14. Wu, L.; Eberhart, M.; Nayak, A.; Brennaman, M. K.; Shan, B.; Meyer, T. J. A Molecular Silane-Derivatized Ru(II) Catalyst for Photoelectrochemical Water Oxidation. J. Am. Chem. Soc. 2018, 140 (44), 15062-15069. http://dx.doi.org/10.1021/jacs.8b10132
  15. Sampaio, R. N.; Troian-Gautier, L.; Meyer, G. J. A Charge-Separated State that Lives for Almost a Second at a Conductive Metal Oxide Interface. Angew. Chem. Int. Ed. 2018, 57 (47), 15390-15394. http://dx.doi.org/10.1002/anie.201807627​.​
  16. Gonell, S. G.; Miller, A. J. M., Carbon Dioxide Electroreduction Catalyzed by Organometallic Complexes. In Advances in Organometallic Chemistry, Vol 70, First ed., Pérez, P. J.; Stone, F. G. A.; West, R., Eds., Academic Press, 2018, Vol. 70, pp. 1-69. https://dx.doi.org/10.1016/bs.adomc.2018.07.001
  17. Brady, M. D.; Troian-Gautier, L.; Sampaio, R. N.; Motley, T. C.; Meyer, G. J. Optimization of Photocatalyst Excited- and Ground-State Reduction Potentials for Dye-Sensitized HBr Splitting. ACS Appl. Mater. Interfaces. 2018, 10 (37), 31312-31323. http://dx.doi.org/10.1021/acsami.8b09134
  18. Wang, D.; Eberhart, M. S.; Sheridan, M. V.; Hu, K.; Sherman, B. D.; Nayak, A.; Wang, Y.; Marquard, S. L.; Dares, C. J.; Meyer, T. J. Stabilized Photoanodes for Water Oxidation. Integration of Organic Dyes, Water Oxidation Catalysts, and Electron-Transfer Mediators. Proc. Natl. Acad. Sci. USA 2018, 115 (34), 8523-8528. http://dx.doi.org/10.1073/pnas.1802903115
  19. Eom, Y. K.; Nhon, L.; Leem, G.; Sherman, B. D.; Wang, D.; Troian-Gautier, L.; Kim, S.; Kim, J.; Meyer, T. J.; Reynolds, J. R.; Schanze, K. S. Visible-Light Driven Photocatalytic Water Oxidation by a π-Conjugated Donor-Acceptor-Donor Chromophore/Catalyst Assembly. ACS Energy Lett. 2018, (9), 2114-2119. http://dx.doi.org/10.1021/acsenergylett.8b01020
  20. Eberhart, M. S.; Bowers, L. M. R.; Shan, B.; Troian-Gautier, L.; Brennaman, M. K.; Papanikolas, J. M.; Meyer, T. J. Completing a Charge Transport Chain for Artificial Photosynthesis. J. Am. Chem. Soc. 2018, 140 (31), 9823-9826. http://dx.doi.org/10.1021/jacs.8b06740
  21. Dongare, P.; Wang, Y.; Bass, D. M.; Meyer, T. J. Catalytic Interconversion of the Quinone/Hydroquinone Couple by a Surface-Bound Os(III/II) Polypyridyl Couple. J. Phys. Chem. C 2018, 122 (28), 16189-16194. http://dx.doi.org/10.1021/acs.jpcc.8b04920
  22. Raber, M. M.; Brady, M. D.; Troian-Gautier, L.; Dickenson, J. C.; Marquard, S. L.; Hyde, J. T.; Lopez, S. J.; Meyer, G. J.; Meyer, T. J.; Harrison, D. P. Fundamental Factors Impacting the Stability of Phosphonate-Derivatized adsorbed-Ru(III) Chromophore Sensitizers. ACS Appl. Mater. Interfaces 2018, 10 (26), 22821–22833. http://dx.doi.org/10.1021/acsami.8b04587
  23. Brennaman, M. K.; Gish, M. K.; Alibabaei, L.; Norris, M. R.; Binstead, R. A.; Nayak, A.; Lapides, A. M.; Song, W.; Brown, R. J.; Concepcion, J. J.; Templeton, J. L.; Papanikolas, J. M.; Meyer, T. J. Pathways following Electron Injection: Medium Effects and Cross-Surface Electron Transfer in a Ruthenium-Based, Chromophore-Catalyst Assembly on TiO2. J. Phys. Chem. C 2018, 122 (24), 13017-13026. http://dx.doi.org/10.1021/acs.jpcc.8b04837
  24. Piechota, E. J.; Troian-Gautier, L.; Sampaio, R. N.; Brennaman, M. K.; Hu, K.; Berlinguette, C. P.; Meyer, G. J. Optical intramolecular electron transfer in opposite directions through the same bridge that follows different pathways. J. Am. Chem. Soc. 2018, 140 (23), 7176-7186. http://dx.doi.org/10.1021/jacs.8b02715
  25. Li, L.; Kanai, Y. Dependence of hot electron transfer on surface coverage and adsorbate species at semiconductor-molecule interfaces. Phys. Chem. Chem. Phys. 2018, 20, 12986-12991. http://dx.doi.org/10.1039/c7cp07247c
  26. Kurtz, D. A.; Brereton, K. R.; Ruoff, K. P.; Tang, H. M.; Felton, G. A. N.; Miller, A. J. M.; Dempsey, J. L. Bathochromic Shifts in Rhenium Carbonyl Dyes Induced through Destabilization of Occupied Orbitals. Inorg. Chem. 2018, 57 (9), 5389-5399. http://dx.doi.org/10.1021/acs.inorgchem.8b00360
  27. Call, R. W.; Brogan, S.; Alibabaei, L.; Lopez, R. Impedance spectroscopy study of SrTiO3 pulse laser deposited photoelectrodes. Thin Solid Films 2018, 655, 27-33. http://dx.doi.org/10.1016/j.tsf.2018.04.002
  28. Li, G.; Brady, M. D.; Meyer, G. J. Visible Light Driven Bromide Oxidation and Ligand Substitution Photochemistry of a Ru Diimine Complex. J. Am. Chem. Soc. 2018, 140 (16), 5447-5466. http://dx.doi.org/10.1021/jacs.8b00944
  29. Troian-Gautier, L.; DiMarco, B. N.; Sampaio, R. N.; Marquard, S. L.; Meyer, G. J. Evidence that ∆S Controls Interfacial Electron Transfer Dynamics from Anatase TiO2 to Molecular Acceptors. J. Am. Chem. Soc. 2018, 140 (8), 3019-3029. http://dx.doi.org/10.1021/jacs.7b13243
  30. Sheridan, M. V.; Wang, Y.; Wang, D.; Troian-Gautier, L.; Dares, C. J.; Sherman, B. D.; Meyer, T. J. Light-Driven Water Splitting Mediated by Photogenerated Bromine. Angew. Chem. Int. Ed. 2018, 57 (13), 3449-3453. http://dx.doi.org/10.1002/anie.201708879
  31. Nayak, A.; Hu, K.; Roy, S.; Brennaman, M. K.; Shan, B.; Meyer, G. J.; Meyer, T. J. Synthesis and Photophysical Properties of a Covalently Linked, Porphyrin Chromophore-Ru(II) Water Oxidation Catalyst Assembly on SnO2 Electrodes. J. Phys. Chem. C 2018, 122 (25), 13455-13461. http://dx.doi.org/10.1021/acs.jpcc.7b11711
  32. James, E. M.; Barr, T. J.; Meyer, G. J. Evidence for an Electronic State at the Interface between the SnO2 Core and the TiO2 Shell in Mesoporous SnO2/TiO2 Thin Films. ACS Appl. Energy Mater. 2018, 1 (2), 859-867. http://dx.doi.org/10.1021/acsaem.7b00274
  33. Leem, G.; Black, H. T.; Shan, B.; Bantang, J. P. O.; Meyer, T. J.; Reynolds, J. R.; Schanze, K. S. Photocathode Chromophore–Catalyst Assembly via Layer-By-Layer Deposition of a Low Band-Gap Isoindigo Conjugated Polyelectrolyte. ACS Appl. Energy Mater. 2018, 1 (1), 62-67. http://dx.doi.org/10.1021/acsaem.7b00223
  34. Wang, Y.; Wang, D.; Dares, C. J.; Marquard, S. L.; Sheridan, M. V.; Meyer, T. J. CO2 reduction to acetate in mixtures of ultrasmall (Cu)n,(Ag)m bimetallic nanoparticles. Proc. Natl. Acad. Sci. USA 2018, 115 (2), 278-283. http://dx.doi.org/10.1073/pnas.1713962115
  35. Bangle, R.; Sampaio, R. N.; Troian-Gautier, L.; Meyer, G. J. Surface Grafting of Ru(II) Diazonium-Based Sensitizers on Metal Oxides Enhances Alkaline Stability for Solar Energy Conversion. ACS Appl. Mater. Interfaces 2018, 10 (3), 3121-3132. http://dx.doi.org/10.1021/acsami.7b16641
  36. Leem, G.; Sherman, B. D.; Schanze, K. S. Polymer-based chromophore-catalyst assemblies for solar energy conversion. Nano Converg. 2017, 4 (1), 37. http://dx.doi.org/10.1186/s40580-017-0132-z
  37. Hu, K.; Sampaio, R. N.; Marquard, S. L.; Brennaman, M. K.; Tamaki, Y.; Meyer, T. J.; Meyer, G. J. A High-Valent Metal-Oxo Species Produced by Photoinduced One-Electron, Two-Proton Transfer Reactivity. Inorg. Chem. 2018, 57 (1), 486-494. http://dx.doi.org/10.1021/acs.inorgchem.7b02758
  38. Wang, D.; Marquard, S. L.; Troian-Gautier, L.; Sheridan, M. V.; Sherman, B. D.; Wang, Y.; Eberhart, M. S.; Farnum, B. H.; Dares, C. J.; Meyer, T. J. Interfacial Deposition of Ru(II) Bipyridine-Dicarboxylate Complexes by Ligand Substitution for Applications in Water Oxidation Catalysis. J. Am. Chem. Soc. 2018, 140 (2), 719-726. http://dx.doi.org/10.1021/jacs.7b10809
  39. Han, Y.; Dillon, R. J.; Flynn, C. J.; Rountree, E. S.; Alibabaei, L.; Cahoon, J. F.; Papanikolas, J. M.; Dempsey, J. L. Interfacial Electron Transfer Yields in Dye-Sensitized NiO Photocathodes Correlated to Excited-State Dipole Orientation of Ruthenium Chromophores. Can. J. Chem. 2018, 96 (9), 865-874. http://dx.doi.org/10.1139/cjc-2017-0359
  40. Motley, T. C.; Troian-Gautier, L.; Brennaman, M. K.; Meyer, G. J. Excited-State Decay Pathways of Tris(bidentate) Cyclometalated Ruthenium(II) Compounds. Inorg. Chem. 2017, 56 (21), 13579-13592. http://dx.doi.org/10.1021/acs.inorgchem.7b02321
  41. Brady, M. D.; Sampaio, R. N.; Wang, D.; Meyer, T. J.; Meyer, G. J. Dye-Sensitized Hydrobromic Acid Splitting for Hydrogen Solar Fuel Production. J. Am. Chem. Soc. 2017, 139 (44), 15612–15615. http://dx.doi.org/10.1021/jacs.7b09367
  42. Alibabaei, L.; Dillon, R. J.; Reilly, C. E.; Brennaman, M. K.; Wee, K.-R.; Marquard, S. L.; Papanikolas, J. M.; Meyer, T. J. Chromophore-Catalyst Assembly for Water Oxidation Prepared by Atomic Layer Deposition. ACS Appl. Mater. Interfaces 2017, 9 (44), 39018–39026. http://dx.doi.org/10.1021/acsami.7b11905
  43. Eberhart, M. S.; Wang, D.; Sampaio, R. N.; Marquard, S. L.; Shan, B.; Brennaman, M. K.; Meyer, G. J.; Dares, C.; Meyer, T. J. Water Photo-Oxidation Initiated by Surface-Bound Organic Chromophores. J. Am. Chem. Soc. 2017, 139 (45), 16248-16255. http://dx.doi.org/10.1021/jacs.7b08317
  44. Alibabaei, L.; Brennaman, M. K.; Meyer, T. J., Light-Driven Water-Splitting in the Dye Sensitized Photoelectrosynthesis Cell. In Molecular Devices for Solar Energy Conversion and Storage, First ed.; Tian, H.; Boschloo, G.; Hagfeldt, A., Eds. Springer: Singapore, 2018; pp. 229-257. http://dx.doi.org/10.1007/978-981-10-5924-7_6
  45. Meyer, T. J.; Sheridan, M. V.; Sherman, B. D. Mechanisms of molecular water oxidation in solution and on oxide surfaces. Chem. Soc. Rev. 2017, 46 (20), 6148-6169. http://dx.doi.org/10.1039/c7cs00465f
  46. Shan, B.; Sherman, B. D.; Klug, C. M.; Nayak, A.; Marquard, S. L.; Liu, Q.; Bullock, R. M.; Meyer, T. J. Modulating Hole Transport in Multilayered Photocathodes with Derivatized p-Type Nickel Oxide and Molecular Assemblies for Solar-Driven Water Splitting. J. Phys. Chem. Lett. 2017, 8 (18), 4374-4379. http://dx.doi.org/10.1021/acs.jpclett.7b01911
  47. Wang, D.; Sheridan, M. V.; Shan, B.; Farnum, B. H.; Marquard, S. L.; Sherman, B. D.; Eberhart, M. S.; Nayak, A.; Dares, C. J.; Das, A. K.; Bullock, R. M.; Meyer, T. J. Layer-by-Layer Molecular Assemblies for Dye-Sensitized Photoelectrosynthesis Cells Prepared by Atomic Layer Deposition. J. Am. Chem. Soc. 2017, 139 (41), 14518-14525. http://dx.doi.org/10.1021/jacs.7b07216
  48. Dillon, R. J.; Alibabaei, L.; Meyer, T. J.; Papanikolas, J. M. Enabling Efficient Creation of Long-Lived Charge-Separation on Dye-Sensitized NiO Photocathodes. ACS Appl. Mater. Interfaces 2017, 9 (32), 26786-26796. http://dx.doi.org/10.1021/acsami.7b05856
  49. Jiang, J.; Sherman, B. D.; Zhao, Y.; He, R.; Ghiviriga, I.; Alibabaei, L.; Meyer, T. J.; Leem, G.; Schanze, K. S. Polymer Chromophore-Catalyst Assembly for Solar Fuel Generation. ACS Appl. Mater. Interfaces 2017, 9 (23), 19529-19534. http://dx.doi.org/10.1021/acsami.7b05173
  50. Wang, Y.; Marquard, S. L.; Wang, D.; Dares, C. J.; Meyer, T. J. Single-Site, Heterogeneous Electrocatalytic Reduction of CO2 in Water as the Solvent. ACS Energy Lett. 2017, 2 (6), 1395-1399. http://dx.doi.org/10.1021/acsenergylett.7b00226
  51. Moot, T.; Isayev, O.; Call, R. W.; McCullough, S. M.; Zemaitis, M.; Lopez, R.; Cahoon, J. F.; Tropsha, A. Material informatics driven design and experimental validation of lead titanate as an aqueous solar photocathode. Materials Discovery 2016, 6, 9-16. http://dx.doi.org/10.1016/j.md.2017.04.001
  52. Eberhart, M. S.; Wee, K.-R.; Marquard, S. L.; Skinner, K.; Wang, D.; Nayak, A.; Meyer, T. J. Fluoropolymer-Stabilized Chromophore-Catalyst Assemblies in Aqueous Buffer Solutions for Water-Oxidation Catalysis. ChemSusChem. 2017, 10 (11), 2380-2384. http://dx.doi.org/10.1002/cssc.201700630
  53. Morseth, Z. A.; Pho, T. V.; Sheridan, M. V.; Meyer, T. J.; Schanze, K. S.; Reynolds, J. R.; Papanikolas, J. M. Interfacial Dynamics within an Organic Chromophore-Based Water Oxidation Molecular Assembly. ACS Appl. Mater. Interfaces 2017, 9 (19), 16651-16659. http://dx.doi.org/10.1021/acsami.7b02713
  54. Li, L.; Wong, J. C.; Kanai, Y. Examining the Effect of Exchange-Correlation Approximations in First-Principles Dynamics Simulation of Interfacial Charge Transfer. J. Chem. Theory Comput. 2017, 13 (6), 2634-2641. http://dx.doi.org/10.1021/acs.jctc.7b00183
  55. Wang, D.; Farnum, B. H.; Sheridan, M. V.; Marquard, S. L.; Sherman, B. D.; Meyer, T. J. Inner Layer Control of Performance in a Dye-Sensitized Photoelectrosynthesis Cell. ACS Appl. Mater. Interfaces 2017, 9 (39), 33533-33538. http://dx.doi.org/10.1021/acsami.7b00225
  56. Sheridan, M. V.; Hill, D. J.; Sherman, B. D.; Wang, D.; Marquard, S. L.; Wee, K.-R.; Cahoon, J. F.; Meyer, T. J. All-in-One Derivatized Tandem p+n-Silicon-SnO2/TiO2 Water Splitting Photoelectrochemical Cell. Nano Lett. 2017, 17 (4), 2440-2446. http://dx.doi.org/10.1021/acs.nanolett.7b00105
  57. Sherman, B. D.; Xie, Y.; Sheridan, M. V.; Wang, D.; Shaffer, D. W.; Meyer, T. J.; Concepcion, J. J. Light-Driven Water Splitting by a Covalently Linked Ruthenium-Based Chromophore–Catalyst Assembly. ACS Energy Lett. 2017, 2 (1), 124-128. http://dx.doi.org/10.1021/acsenergylett.6b00661
  58. Sherman, B. D.; Sheridan, M. V.; Wee, K.-R.; Marquard, S. L.; Wang, D.; Alibabaei, L.; Ashford, D. L.; Meyer, T. J. A Dye-Sensitized Photoelectrochemical Tandem Cell for Light Driven Hydrogen Production from Water J. Am. Chem. Soc. 2016, 138 (51), 16745-16753. http://dx.doi.org/10.1021/jacs.6b10699
  59. Gish, M. K.; Lapides, A. M.; Brennaman, M. K.; Templeton, J. L.; Meyer, T. J.; Papanikolas, J. M. Ultrafast Recombination Dynamics in Dye-Sensitized SnO2/TiO2 Core/Shell Films. J. Phys. Chem. Lett. 2016, 7 (24), 5297-5301. http://dx.doi.org/10.1021/acs.jpclett.6b02388
  60. Shan, B.; Das, A. K.; Marquard, S. L.; Farnum, B. H.; Wang, D.; Bullock, R. M.; Meyer, T. J. Photogeneration of hydrogen from water by a robust dye-sensitized photocathode. Energy Environ. Sci. 2016, 9 (12), 3693-3697. http://dx.doi.org/10.1039/c6ee02903e
  61. Black, H. T.; Pelse, I.; Wolfe, R. M. W.; Reynolds, J. R. Halochromism and protonation-induced assembly of a benzo[g]indolo[2,3-b]quinoxaline derivative. Chem. Commun. 2016, 52 (87), 12877-12880. http://dx.doi.org/10.1039/c6cc06443d
  62. House, R. L.; Heyer, C. M.; Meyer, G. J.; Papanikolas, J. M.; Meyer, T. J. The University of North Carolina Energy Frontier Research Center: Center for Solar Fuels. ACS Energy Lett. 2016, 1 (4), 872-874. http://dx.doi.org/10.1021/acsenergylett.6b00141
  63. Brennaman, M. K.; Dillon, R. J.; Alibabaei, L.; Gish, M. K.; Dares, C. J.; Ashford, D. L.; House, R. L.; Meyer, G. J.; Papanikolas, J. M.; Meyer, T. J. Finding the Way to Solar Fuels with Dye-Sensitized Photoelectrosynthesis Cells. J. Am. Chem. Soc. 2016, 138 (40), 13085-13102. http://dx.doi.org/10.1021/jacs.6b06466
  64. Guo, Z.; Giokas, P. G.; Cheshire, T. P.; Williams, O. F.; Dirkes, D. J.; You, W.; Moran, A. M. Communication: Uncovering correlated vibrational cooling and electron transfer dynamics with multidimensional spectroscopy. J. Chem. Phys. 2016, 145 (10), 101101. http://dx.doi.org/10.1063/1.4962670
  65. Morseth, Z. A.; Pho, T. V.; Gilligan, A. T.; Dillon, R. J.; Schanze, K. S.; Reynolds, J. R.; Papanikolas, J. M. Role of Macromolecular Structure in the Ultrafast Energy and Electron Transfer Dynamics of a Light-Harvesting Polymer. J. Phys. Chem. B 2016, 120 (32), 7937-7948. http://dx.doi.org/10.1021/acs.jpcb.6b05589
  66. Flynn, C. J.; McCullough, S. M.; Li, L.; Donley, C. L.; Kanai, Y.; Cahoon, J. F. Passivation of Nickel Vacancy Defects in Nickel Oxide Solar Cells by Targeted Atomic Deposition of Boron. J. Phys. Chem. C 2016, 120 (30), 16568-16576. http://dx.doi.org/10.1021/acs.jpcc.6b06593
  67. Guo, Z.; Giokas, P. G.; Cheshire, T. P.; Williams, O. F.; Dirkes, D. J.; You, W.; Moran, A. M. Ultrafast Spectroscopic Signatures of Coherent Electron Transfer Mechanisms in a Transition Metal Complex. J. Phys. Chem. A 2016, 120 (29), 5773-5790. http://dx.doi.org/10.1021/acs.jpca.6b04313
  68. Zigler, D. F.; Morseth, Z. A.; White, T. A.; Canterbury, T. R.; Sayre, H. J.; Rodríguez-Corrales, J. Á.; Brennaman, M. K.; Brewer, K. J.; Papanikolas, J. M. Ultrafast kinetics of supramolecules with a Ru(II)- or Os(II)-polypyridyl light absorber, cis-Rh(III)Cl2-polypyridyl electron collector, and 2,3-bis(2-pyridyl)pyrazine bridge. Inorg. Chim. Acta 2017, 454, 266-274. http://dx.doi.org/10.1016/j.ica.2016.06.034
  69. Sherman, B. D.; Sheridan, M. V.; Dares, C. J.; Meyer, T. J. Two Electrode Collector-Generator Method for the Detection of Electrochemically or Photoelectrochemically Produced O2. Anal. Chem. 2016, 88 (14), 7076-7082. http://dx.doi.org/10.1021/acs.analchem.6b00738
  70. Leem, G.; Sherman, B. D.; Burnett, A. J.; Morseth, Z. A.; Wee, K.-R.; Papanikolas, J. M.; Meyer, T. J.; Schanze, K. S. Light-Driven Water Oxidation using Polyelectrolyte Layer-by-Layer Chromophore-Catalyst Assemblies. ACS Energy Lett. 2016, 1 (2), 339-343. http://dx.doi.org/10.1021/acsenergylett.6b00171
  71. Sheridan, M. V.; Sherman, B. D.; Coppo, R. L.; Wang, D.; Marquard, S. L.; Wee, K.-R.; Murakami Iha, N. Y.; Meyer, T. J. Evaluation of Chromophore and Assembly Design in Light-Driven Water Splitting with a Molecular Water Oxidation Catalyst. ACS Energy Lett. 2016, 1 (1), 231-236. http://dx.doi.org/10.1021/acsenergylett.6b00142
  72. Coggins, M. K.; Meyer, T. J., Dye Sensitized Photoelectrosynthesis Cells for Making Solar Fuels: From Basic Science to Prototype Devices. In Photoelectrochemical Solar Fuel Production. From Basic Principles to Advanced Devices, First Ed., Giménez, S.; Bisquert, J., Eds., Springer International Publishing: Switzerland, 2016; Vol. XXI, pp. 513-548. http://dx.doi.org/10.1007/978-3-319-29641-8_13
  73. Call, R. W.; Alibabaei, L.; Dillon, R. J.; Knauf, R. R.; Nayak, A.; Dempsey, J. L.; Papanikolas, J. M.; Lopez, R. Growth and Post-Deposition Treatments of SrTiO3 Films for Dye Sensitized Photoelectrosynthesis Cell Applications. ACS Appl. Mater. Interfaces 2016, 8 (19), 12282-12290. http://dx.doi.org/10.1021/acsami.6b01289
  74. Li, L.; Kanai, Y. Excited Electron Dynamics at Semiconductor-Molecule Type-II Heterojunction Interface: First-Principles Dynamics Simulation. J. Phys. Chem. Lett. 2016, 7 (8), 1495-1500. http://dx.doi.org/10.1021/acs.jpclett.6b00436
  75. Pho, T. V.; Sheridan, M. V.; Morseth, Z. A.; Sherman, B. D.; Meyer, T. J.; Papanikolas, J. M.; Schanze, K. S.; Reynolds, J. R. Efficient Light-Driven Oxidation of Alcohols Using an Organic Chromophore-Catalyst Assembly Anchored to TiO2. ACS Appl. Mater. Interfaces 2016, 8 (14), 9125-9133. http://dx.doi.org/10.1021/acsami.6b00932
  76. Zigler, D. F.; Morseth, Z. A.; Wang, L.; Ashford, D. L.; Brennaman, M. K.; Grumstrup, E. M.; Brigham, E. C.; Gish, M. K.; Dillon, R. J.; Alibabaei, L.; Meyer, G. J.; Meyer, T. J.; Papanikolas, J. M. Disentangling the Physical Processes Responsible for the Kinetic Complexity in Interfacial Electron Transfer of Excited Ru(II) Polypyridyl Dyes on TiO2. J. Am. Chem. Soc. 2016, 138 (13), 4426-4438. http://dx.doi.org/10.1021/jacs.5b12996
  77. Sheridan, M. V.; Sherman, B. D.; Wee, K.-R.; Marquard, S. L.; Gold, A. S.; Meyer, T. J. Nonaqueous electrocatalytic water oxidation by a surface-bound Ru(bda)(L)2 complex. Dalton Trans. 2016, 45 (15), 6324-6328. http://dx.doi.org/10.1039/c6dt00408c
  78. O’Donnell, R. M.; Sampaio, R. N.; Li, G.; Johansson, P. G.; Ward, C. L.; Meyer, G. J. Photoacidic and Photobasic Behavior of Transition Metal Compounds with Carboxylic Acid Group(s). J. Am. Chem. Soc. 2016, 138 (11), 3891-3903. http://dx.doi.org/10.1021/jacs.6b00454
  79. Rudd, J. A.; Brennaman, M. K.; Michaux, K. E.; Ashford, D. L.; Murray, R. W.; Meyer, T. J. Synthesis, Electrochemistry, and Excited State Properties of Three Ru(II) Quaterpyridine Complexes. J. Phys. Chem. A 2016, 120 (11), 1845-1852. http://dx.doi.org/10.1021/acs.jpca.6b00317
  80. Leem, G.; Morseth, Z. A.; Wee, K.-R.; Jiang, J.; Brennaman, M. K.; Papanikolas, J. M.; Schanze, K. S. Polymer-Based Ruthenium(II) Polypyridyl Chromophores on TiO2 for Solar Energy Conversion. Chem. Asian J. 2016, 11 (8), 1257-1267. http://dx.doi.org/10.1002/asia.201501384
  81. Flynn, C. J.; McCullough, S. M.; Oh, E. E.; Li, L.; Mercado, C. C.; Farnum, B. H.; Li, W.; Donley, C. L.; You, W.; Nozik, A. J.; McBride, J. R.; Meyer, T. J.; Kanai, Y.; Cahoon, J. F. Site-Selective Passivation of Defects in NiO Solar Photocathodes by Targeted Atomic Deposition. ACS Appl. Mater. Interfaces 2016, 8 (7), 4754-4761. http://dx.doi.org/10.1021/acsami.6b01090
  82. Nayak, A.; Roy, S.; Sherman, B. D.; Alibabaei, L.; Lapides, A. M.; Brennaman, M. K.; Wee, K.-R.; Meyer, T. J. Phosphonate-Derivatized Porphyrins for Photoelectrochemical Applications. ACS Appl. Mater. Interfaces 2016, 8 (6), 3853-3860. http://dx.doi.org/10.1021/acsami.5b10587
  83. Zhang, S.; Kang, P.; Bakir, M.; Lapides, A. M.; Dares, C. J.; Meyer, T. J. Polymer-supported CuPd nanoalloy as a synergistic catalyst for electrocatalytic reduction of carbon dioxide to methane. Proc. Natl. Acad. Sci. USA 2015, 112 (52), 15809-15814. http://dx.doi.org/10.1073/pnas.1522496112
  84. Knauf, R. R.; Kalanyan, B.; Parsons, G. N.; Dempsey, J. L. Charge Recombination Dynamics in Sensitized SnO2/TiO2 Core/Shell Photoanodes. J. Phys. Chem. C 2015, 119 (51), 28353-28360. http://dx.doi.org/10.1021/acs.jpcc.5b10574
  85. Sherman, B. D.; Sheridan, M. V.; Wee, K.-R.; Song, N.; Dares, C. J.; Fang, Z.; Tamaki, Y.; Nayak, A.; Meyer, T. J. Analysis of Homogeneous Water Oxidation Catalysis with Collector-Generator Cells. Inorg. Chem. 2016, 55 (2), 512-517. http://dx.doi.org/10.1021/acs.inorgchem.5b02182
  86. Brennaman, M. K.; Norris, M. R.; Gish, M. K.; Grumstrup, E. M.; Alibabaei, L.; Ashford, D. L.; Lapides, A. M.; Papanikolas, J. M.; Templeton, J. L.; Meyer, T. J. Ultrafast, Light-Induced Electron Transfer in a Perylene Diimide Chromophore-Donor Assembly on TiO2 J. Phys. Chem. Lett. 2015, 6 (23), 4736–4742. http://dx.doi.org/10.1021/acs.jpclett.5b02194
  87. Ashford, D. L.; Gish, M. K.; Vannucci, A. K.; Brennaman, M. K.; Templeton, J. L.; Papanikolas, J. M.; Meyer, T. J. Molecular Chromophore-Catalyst Assemblies for Solar Fuel Applications. Chem. Rev. 2015, 115 (23), 13006-13049. http://dx.doi.org/10.1021/acs.chemrev.5b00229
  88. Luo, H.; Fang, Z.; Song, N.; Garvey, T.; Lopez, R.; Meyer, T. J. High Surface Area Antimony-Doped Tin Oxide Electrodes Templated by Graft Copolymerization. Applications in Electrochemical and Photoelectrochemical Catalysis. ACS Appl. Mater. Interfaces 2015, 7 (45), 25121-25128. http://dx.doi.org/10.1021/acsami.5b06348
  89. Sheridan, M. V.; Sherman, B. D.; Marquard, S. L.; Fang, Z.; Ashford, D. L.; Wee, K.-R.; Gold, A. S.; Alibabaei, L.; Rudd, J. A.; Coggins, M. K.; Meyer, T. J. Electron Transfer Mediator Effects in Water Oxidation Catalysis by Solution and Surface-Bound Ruthenium Bpy-Dicarboxylate Complexes. J. Phys. Chem. C 2015, 119 (45), 25420-25428. http://dx.doi.org/10.1021/acs.jpcc.5b08326
  90. McCullough, S. M.; Flynn, C. J.; Mercado, C. C.; Nozik, A. J.; Cahoon, J. F. Compositionally-tunable mechanochemical synthesis of ZnxCo3−xO4 nanoparticles for mesoporous p-type photocathodes. J. Mater. Chem. A 2015, 3 (44), 21990-21994. http://dx.doi.org/10.1039/c5ta07491f
  91. Wee, K.-R.; Sherman, B. D.; Brennaman, M. K.; Sheridan, M. V.; Nayak, A.; Alibabaei, L.; Meyer, T. J. An aqueous, organic dye derivatized SnO2/TiO2 core/shell photoanode. J. Mater. Chem. A 2016, 4 (8), 2969-2975. http://dx.doi.org/10.1039/c5ta06678f
  92. Leem, G.; Keinan, S.; Jiang, J.; Chen, Z.; Pho, T.; Morseth, Z. A.; Hu, Z.; Puodziukynaite, E.; Fang, Z.; Papanikolas, J. M.; Reynolds, J. R.; Schanze, K. S. Ru(bpy)32+ derivatized polystyrenes constructed by nitroxide-mediated radical polymerization. Relationship between polymer chain length, structure and photophysical properties. Polym. Chem. 2015, 6 (47), 8184-8193. http://dx.doi.org/10.1039/c5py01289a
  93. House, R. L.; Iha, N. Y. M.; Coppo, R. L.; Alibabaei, L.; Sherman, B. D.; Kang, P.; Brennaman, M. K.; Hoertz, P. G.; Meyer, T. J. Artificial photosynthesis: Where are we now? Where can we go? J. Photochem. Photobiol. C 2015, 25, 32-45. http://dx.doi.org/10.1016/j.jphotochemrev.2015.08.002
  94. Sherman, B. D.; Ashford, D. L.; Lapides, A. M.; Sheridan, M. V.; Wee, K.-R.; Meyer, T. J. Light-Driven Water Splitting with a Molecular Electroassembly-Based Core/Shell Photoanode. J. Phys. Chem. Lett. 2015, 6 (16), 3213-3217. http://dx.doi.org/10.1021/acs.jpclett.5b01370
  95. Lapides, A. M.; Sherman, B. D.; Brennaman, M. K.; Dares, C. J.; Skinner, K. R.; Templeton, J. L.; Meyer, T. J. Synthesis, characterization, and water oxidation by a molecular chromophore-catalyst assembly prepared by atomic layer deposition. The “mummy” strategy. Chem. Sci. 2015, 6 (11), 6398-6406. http://dx.doi.org/10.1039/c5sc01752a
  96. Hu, K.; Meyer, G. J. Lateral Intermolecular Self-Exchange Reactions for Hole and Energy Transport on Mesoporous Metal Oxide Thin Films. Langmuir 2015, 31 (41), 11164-11178. http://dx.doi.org/10.1021/acs.langmuir.5b02129
  97. Michaux, K. E.; Gambardella, A. A.; Alibabaei, L.; Ashford, D. L.; Sherman, B. D.; Binstead, R. A.; Meyer, T. J.; Murray, R. W. Visible Photoelectrochemical Water Splitting Based on a Ru(II) Polypyridyl Chromophore and Iridium Oxide Nanoparticle Catalyst. J. Phys. Chem. C 2015, 119 (29), 17023-17027. http://dx.doi.org/10.1021/acs.jpcc.5b05711
  98. Sheridan, M. V.; Sherman, B. D.; Fang, Z.; Wee, K.-R.; Coggins, M. K.; Meyer, T. J. Electron Transfer Mediator Effects in the Oxidative Activation of a Ruthenium Dicarboxylate Water Oxidation Catalyst. ACS Catal. 2015, 5 (7), 4404-4409. http://dx.doi.org/10.1021/acscatal.5b00720
  99. Li, L.; Kanai, Y. Antiferromagnetic structures and electronic energy levels at reconstructed NiO(111) surfaces: A DFT + U study. Phys. Rev. B 2015, 91 (23), 235304. http://dx.doi.org/10.1103/PhysRevB.91.235304
  100. Alibabaei, L.; Sherman, B. D.; Norris, M. R.; Brennaman, M. K.; Meyer, T. J. Visible photoelectrochemical water splitting into H2 and O2 in a dye-sensitized photoelectrosynthesis cell. Proc. Natl. Acad. Sci. USA 2015, 112 (19), 5899-5902. http://dx.doi.org/10.1073/pnas.1506111112
  101. Hyde, J. T.; Hanson, K.; Vannucci, A. K.; Lapides, A. M.; Alibabaei, L.; Norris, M. R.; Meyer, T. J.; Harrison, D. P. Electrochemical Instability of Phosphonate-Derivatized, Ruthenium(III) Polypyridyl Complexes on Metal Oxide Surfaces. ACS Appl. Mater. Interfaces 2015, 7 (18), 9554-9562. http://dx.doi.org/10.1021/acsami.5b01000
  102. Song, N.; Concepcion, J. J.; Binstead, R. A.; Rudd, J. A.; Vannucci, A. K.; Dares, C. J.; Coggins, M. K.; Meyer, T. J. Base-enhanced catalytic water oxidation by a carboxylate-bipyridine Ru(II) complex. Proc. Natl. Acad. Sci. USA 2015, 112 (16), 4935-4940. http://dx.doi.org/10.1073/pnas.1500245112
  103. Fang, Z.; Ito, A.; Luo, H.; Ashford, D. L.; Concepcion, J. J.; Alibabaei, L.; Meyer, T. J. Polypyridyl Ru(II)-derivatized polypropylacrylate polymer with a terminal water oxidation catalyst. Application of reversible addition-fragmentation chain transfer polymerization. Dalton Trans. 2015, 44 (18), 8640-8648. http://dx.doi.org/10.1039/c5dt00287g
  104. Ashford, D. L.; Sherman, B. D.; Binstead, R. A.; Templeton, J. L.; Meyer, T. J. Electro-assembly of a Chromophore-Catalyst Bilayer for Water Oxidation and Photocatalytic Water Splitting. Angew. Chem. Int. Ed. 2015, 54 (16), 4778-4781. http://dx.doi.org/10.1002/anie.201410944
  105. Walden, A. G.; Miller, A. J. M. Rapid water oxidation electrocatalysis by a ruthenium complex of the tripodal ligand tris(2-pyridyl)phosphine oxide. Chem. Sci. 2015, 6 (4), 2405-2410. http://dx.doi.org/10.1039/c5sc00032g
  106. Morseth, Z. A.; Wang, L.; Puodziukynaite, E.; Leem, G.; Gilligan, A. T.; Meyer, T. J.; Schanze, K. S.; Reynolds, J. R.; Papanikolas, J. M. Ultrafast Dynamics in Multifunctional Ru(II)-Loaded Polymers for Solar Energy Conversion. Acc. Chem. Res. 2015, 48 (3), 818-827. http://dx.doi.org/10.1021/ar500382u
  107. Harrison, D. P.; Carpenter, L. S.; Hyde, J. T. Reductive Electropolymerization of a Vinyl-containing Poly-pyridyl Complex on Glassy Carbon and Fluorine-doped Tin Oxide Electrodes. J. Vis. Exp. 2015, 95, e52035. http://dx.doi.org/10.3791/52035
  108. Ashford, D. L.; Brennaman, M. K.; Brown, R. J.; Keinan, S.; Concepcion, J. J.; Papanikolas, J. M.; Templeton, J. L.; Meyer, T. J. Varying the Electronic Structure of Surface-Bound Ruthenium(II) Polypyridyl Complexes. Inorg. Chem. 2015, 54 (2), 460-469. http://dx.doi.org/10.1021/ic501682k
  109. Watson, Z.; Keinan, S.; Kanai, Y. Electronic and optical properties of polypyridylruthenium derivatized polystyrenes: multi-level computational analysis of metallo-polymeric chromophore assemblies. Phys. Chem. Chem. Phys. 2015, 17 (3), 1776-1784. http://dx.doi.org/10.1039/c4cp04043k
  110. Rawson, J.; Stuart, A. C.; You, W.; Therien, M. J. Tailoring Porphyrin-Based Electron Accepting Materials for Organic Photovoltaics. J. Am. Chem. Soc. 2014, 136 (50), 17561-17569. http://dx.doi.org/10.1021/ja5097418
  111. Leem, G.; Morseth, Z. A.; Puodziukynaite, E.; Jiang, J.; Fang, Z.; Gilligan, A. T.; Reynolds, J. R.; Papanikolas, J. M.; Schanze, K. S. Light Harvesting and Charge Separation in a π-Conjugated Antenna Polymer Bound to TiO2. J. Phys. Chem. C 2014, 118 (49), 28535-28541. http://dx.doi.org/10.1021/jp5113558
  112. Kang, P.; Chen, Z.; Brookhart, M.; Meyer, T. J. Electrocatalytic Reduction of Carbon Dioxide: Let the Molecules Do the Work. Top. Catal. 2014, 58 (1), 30-45. http://dx.doi.org/10.1007/s11244-014-0344-y
  113. Coggins, M. K.; Méndez, M. A.; Concepcion, J. J.; Periana, R. A.; Meyer, T. J. Selective Electrocatalytic Oxidation of a Re-Methyl Complex to Methanol by a Surface-Bound Ru(II) Polypyridyl Catalyst. J. Am. Chem. Soc. 2014, 136 (45), 15845-15848. http://dx.doi.org/10.1021/ja507979c
  114. Kang, P.; Chen, Z.; Nayak, A.; Zhang, S.; Meyer, T. J. Single catalyst electrocatalytic reduction of CO2 in water to H2 + CO syngas mixtures with water oxidation to O2. Energy Environ. Sci. 2014, 7 (12), 4007-4012. http://dx.doi.org/10.1039/c4ee01904k
  115. Mercado, C. C.; Zakutayev, A.; Zhu, K.; Flynn, C. J.; Cahoon, J. F.; Nozik, A. J. Sensitized Zinc–Cobalt–Oxide Spinel p-Type Photoelectrode. J. Phys. Chem. C 2014, 118 (44), 25340-25349. http://dx.doi.org/10.1021/jp508153j
  116. Li, Z.; Smeu, M.; Park, T. H.; Rawson, J.; Xing, Y.; Therien, M. J.; Ratner, M. A.; Borguet, E. Hapticity-Dependent Charge Transport through Carbodithioate-Terminated [5,15-Bis(phenylethynyl)porphinato]zinc(II) Complexes in Metal-Molecule-Metal Junctions. Nano Lett. 2014, 14 (10), 5493-5499. http://dx.doi.org/10.1021/nl502466a
  117. Coggins, M. K.; Zhang, M.-T.; Chen, Z.; Song, N.; Meyer, T. J. Single-Site Copper(II) Water Oxidation Electrocatalysis: Rate Enhancements with HPO42- as a Proton Acceptor at pH 8. Angew. Chem. Int. Ed. 2014, 53 (45), 12226-12230. http://dx.doi.org/10.1002/anie.201407131
  118. Wee, K.-R.; Brennaman, M. K.; Alibabaei, L.; Farnum, B. H.; Sherman, B.; Lapides, A. M.; Meyer, T. J. Stabilization of Ruthenium(II) Polypyridyl Chromophores on Nanoparticle Metal-Oxide Electrodes in Water by Hydrophobic PMMA Overlayers. J. Am. Chem. Soc. 2014, 136 (39), 13514-13517. http://dx.doi.org/10.1021/ja506987a
  119. Schmidt, R. D.; Kent, C. A.; Concepcion, J. J.; Lin, W.; Meyer, T. J.; Forbes, M. D. A little spin on the side: solvent and temperature dependent paramagnetism in [RuII(bpy)2(phendione)]2+. Dalton Trans. 2014, 43 (47), 17729-17739. http://dx.doi.org/10.1039/c4dt01868k
  120. Fang, Z.; Wu, D.; Keinan, S.; Liu, B. Conjugated polymer with rigid donor poly(para‐divinylphenylamino) backbone and pendant cyanoacetic acid acceptor for dye sensitized solar cells. J. Polym. Sci. A 2014, 52 (20), 2958-2965. http://dx.doi.org/10.1002/pola.27334
  121. Ryan, D. M.; Coggins, M. K.; Concepcion, J. J.; Ashford, D. L.; Fang, Z.; Alibabaei, L.; Ma, D.; Meyer, T. J.; Waters, M. L. Synthesis and Electrocatalytic Water Oxidation by Electrode-Bound Helical Peptide Chromophore-Catalyst Assemblies. Inorg. Chem. 2014, 53 (15), 8120-8128. http://dx.doi.org/10.1021/ic5011488
  122. Shenvi, N.; van Aggelen, H.; Yang, Y.; Yang, W. Tensor hypercontracted ppRPA: Reducing the cost of the particle-particle random phase approximation from O(r 6) to O(r 4). J. Chem. Phys. 2014, 141 (2), 024119. http://dx.doi.org/10.1063/1.4886584
  123. Li, L.; Giokas, P. G.; Kanai, Y.; Moran, A. M. Modeling time-coincident ultrafast electron transfer and solvation processes at molecule-semiconductor interfaces. J. Chem. Phys. 2014, 140 (23), 234109. http://dx.doi.org/10.1063/1.4882664
  124. Song, W.; Vannucci, A.; Farnum, B. H.; Lapides, A. M.; Brennaman, M. K.; Kalanyan, B.; Alibabaei, L.; Concepcion, J. J.; Losego, M. D.; Parsons, G. N.; Meyer, T. J. Visible Light Driven Benzyl Alcohol Dehydrogenation in a Dye-Sensitized Photoelectrosynthesis Cell. J. Am. Chem. Soc. 2014, 136 (27), 9773-9779. http://dx.doi.org/10.1021/ja505022f
  125. Chen, Z.; Concepcion, J. J.; Song, N.; Meyer, T. J. Chloride-assisted catalytic water oxidation. Chem. Commun. 2014, 50 (59), 8053-8056. http://dx.doi.org/10.1039/C4CC04071F
  126. Flynn, C. J.; Oh, E. E.; McCullough, S. M.; Call, R. W.; Donley, C. L.; Lopez, R.; Cahoon, J. F. Hierarchically-Structured NiO Nanoplatelets as Mesoscale p-Type Photocathodes for Dye-Sensitized Solar Cells. J. Phys. Chem. C 2014, 118 (26), 14177-14184. http://dx.doi.org/10.1021/Jp5027916
  127. Kang, P.; Zhang, S.; Meyer, T. J.; Brookhart, M. Rapid Selective Electrocatalytic Reduction of Carbon Dioxide to Formate by an Iridium Pincer Catalyst Immobilized on Carbon Nanotube Electrodes. Angew. Chem. Int. Ed. 2014, 53 (33), 8709-8713. http://dx.doi.org/10.1002/anie.201310722
  128. Ashford, D. L.; Glasson, C. R. K.; Norris, M. R.; Concepcion, J. J.; Keinan, S.; Brennaman, M. K.; Templeton, J. L.; Meyer, T. J. Controlling Ground and Excited State Properties through Ligand Changes in Ruthenium Polypyridyl Complexes. Inorg. Chem. 2014, 53 (11), 5637-5646. http://dx.doi.org/10.1021/ic500408j
  129. Alibabaei, L.; Farnum, B. H.; Kalanyan, B.; Brennaman, M. K.; Losego, M. D.; Parsons, G. N.; Meyer, T. J. Atomic Layer Deposition of TiO2 on Mesoporous nanoITO: Conductive Core-Shell Photoanodes for Dye-Sensitized Solar Cells. Nano Lett. 2014, 14 (6), 3255-3261. http://dx.doi.org/10.1021/nl5006433
  130. Nayak, A.; Knauf, R. R.; Hanson, K.; Alibabaei, L.; Concepcion, J. J.; Ashford, D. L.; Dempsey, J. L.; Meyer, T. J. Synthesis and photophysical characterization of porphyrin and porphyrin–Ru(II) polypyridyl chromophore–catalyst assemblies on mesoporous metal oxides. Chem. Sci. 2014, 5 (8), 3115-3119. http://dx.doi.org/10.1039/C4SC00875H
  131. Liu, S.; Rong, C.; Lu, T. Information Conservation Principle Determines Electrophilicity, Nucleophilicity, and Regioselectivity. J. Phys. Chem. A 2014, 118 (20), 3698-3704. http://dx.doi.org/10.1021/jp5032702
  132. Zhang, S.; Kang, P.; Ubnoske, S.; Brennaman, M. K.; Song, N.; House, R. L.; Glass, J. T.; Meyer, T. J. Polyethylenimine-Enhanced Electrocatalytic Reduction of CO2 to Formate at Nitrogen-Doped Carbon Nanomaterials. J. Am. Chem. Soc. 2014, 136 (22), 7845-7848. http://dx.doi.org/10.1021/ja5031529
  133. Tamaki, Y.; Vannucci, A.; Dares, C. J.; Binstead, R. A.; Meyer, T. J. One-Electron Activation of Water Oxidation Catalysis. J. Am. Chem. Soc. 2014, 136 (19), 6854-6857. http://dx.doi.org/10.1021/ja502637s
  134. Bettis, S. E.; Hanson, K.; Wang, L.; Gish, M. K.; Concepcion, J. J.; Fang, Z.; Meyer, T. J.; Papanikolas, J. M. Photophysical Characterization of a Chromophore/Water Oxidation Catalyst Containing a Layer-by-Layer Assembly on Nanocrystalline TiO2 Using Ultrafast Spectroscopy. J. Phys. Chem. A 2014, 118 (45), 10301-10308. http://dx.doi.org/10.1021/jp411139j
  135. Ashford, D. L.; Lapides, A. M.; Vannucci, A.; Hanson, K.; Torelli, D. A.; Harrison, D. P.; Templeton, J. L.; Meyer, T. J. Water Oxidation by an Electropolymerized Catalyst on Derivatized Mesoporous Metal Oxide Electrodes. J. Am. Chem. Soc. 2014, 136 (18), 6578-6581. http://dx.doi.org/10.1021/ja502464s
  136. Ito, A.; Knight, T. E.; Stewart, D. J.; Brennaman, M. K.; Meyer, T. J. Rigid Medium Effects on Photophysical Properties of MLCT Excited States of Polypyridyl Os(II) Complexes in Polymerized Poly(ethylene glycol)dimethacrylate Monoliths. J. Phys. Chem. A 2014, 118 (45), 10326-10332. http://dx.doi.org/10.1021/jp5019873
  137. Song, N.; Zhang, M.-T.; Binstead, R. A.; Fang, Z.; Meyer, T. J. Multiple Pathways in the Oxidation of a NADH Analogue. Inorg. Chem. 2014, 53 (8), 4100-4105. http://dx.doi.org/10.1021/ic500072e
  138. Zanoni, K. P.; Kariyazaki, B. K.; Ito, A.; Brennaman, M. K.; Meyer, T. J.; Murakami Iha, N. Y. Blue-Green Iridium(III) Emitter and Comprehensive Photophysical Elucidation of Heteroleptic Cyclometalated Iridium(III) Complexes. Inorg. Chem. 2014, 53 (8), 4089-4099. http://dx.doi.org/10.1021/ic500070s
  139. Fang, Z.; Keinan, S.; Alibabaei, L.; Luo, H.; Ito, A.; Meyer, T. J. Controlled Electropolymerization of Ruthenium(II) Vinylbipyridyl Complexes in Mesoporous Nanoparticle Films of TiO2. Angew. Chem. Int. Ed. 2014, 126 (19), 4872-4876. http://dx.doi.org/10.1002/ange.201402309
  140. Coggins, M. K.; Zhang, M.-T.; Vannucci, A. K.; Dares, C. J.; Meyer, T. J. Electrocatalytic Water Oxidation by a Monomeric Amidate-Ligated Fe(III)–Aqua Complex. J. Am. Chem. Soc. 2014, 136 (15), 5531-5534. http://dx.doi.org/10.1021/ja412822u
  141. Kim, D. H.; Losego, M. D.; Hanson, K.; Alibabaei, L.; Lee, K.; Meyer, T. J.; Parsons, G. N. Stabilizing chromophore binding on TiO2 for long-term stability of dye-sensitized solar cells using multicomponent atomic layer deposition. Phys. Chem. Chem. Phys. 2014, 16 (18), 8615-8622. http://dx.doi.org/10.1039/C4CP01130A
  142. Bettis, S. E.; Ryan, D. M.; Gish, M. K.; Alibabaei, L.; Meyer, T. J.; Waters, M. L.; Papanikolas, J. M. Photophysical Characterization of a Helical Peptide Chromophore–Water Oxidation Catalyst Assembly on a Semiconductor Surface Using Ultrafast Spectroscopy. J. Phys. Chem. C 2014, 118 (12), 6029-6037. http://dx.doi.org/10.1021/jp410646u
  143. Turlington, C. R.; White, P. S.; Brookhart, M.; Templeton, J. L. Oxygen Atom Transfer to a Half-Sandwich Iridium Complex: Clean Oxidation Yielding a Molecular Product. J. Am. Chem. Soc. 2014, 136 (10), 3981-3994. http://dx.doi.org/10.1021/ja413023f
  144. Farnum, B. H.; Morseth, Z. A.; Lapides, A. M.; Rieth, A. J.; Hoertz, P. G.; Brennaman, M. K.; Papanikolas, J. M.; Meyer, T. J. Photoinduced Interfacial Electron Transfer within a Mesoporous Transparent Conducting Oxide Film. J. Am. Chem. Soc. 2014, 136 (6), 2208-2211. http://dx.doi.org/10.1021/ja4106418
  145. Ito, A.; Fang, Z.; Brennaman, M. K.; Meyer, T. J. Long-range photoinduced electron transfer dynamics in rigid media. Phys. Chem. Chem. Phys. 2014, 16 (10), 4880-4891. http://dx.doi.org/10.1039/c3cp54801e
  146. Puodziukynaite, E.; Wang, L.; Schanze, K. S.; Papanikolas, J. M.; Reynolds, J. R. Poly(fluorene-co-thiophene)-based ionic transition-metal complex polymers for solar energy harvesting and storage applications. Polym. Chem. 2014, 5 (7), 2363-2369. http://dx.doi.org/10.1039/c3py01582c
  147. Zhang, S.; Kang, P.; Meyer, T. J. Nanostructured Tin Catalysts for Selective Electrochemical Reduction of Carbon Dioxide to Formate. J. Am. Chem. Soc. 2014, 136 (5), 1734-1737. http://dx.doi.org/10.1021/ja4113885
  148. Vannucci, A. K.; Alibabaei, L.; Losego, M. D.; Concepcion, J. J.; Kalanyan, B.; Parsons, G. N.; Meyer, T. J. Crossing the divide between homogeneous and heterogeneous catalysis in water oxidation. Proc. Natl. Acad. Sci. USA 2013, 110 (52), 20918-20922. http://dx.doi.org/10.1073/pnas.1319832110
  149. Alibabaei, L.; Brennaman, M. K.; Norris, M. R.; Kalanyan, B.; Song, W.; Losego, M. D.; Concepcion, J. J.; Binstead, R. A.; Parsons, G. N.; Meyer, T. J. Solar water splitting in a molecular photoelectrochemical cell. Proc. Natl. Acad. Sci. USA 2013, 110 (50), 20008-20013. http://dx.doi.org/10.1073/pnas.1319628110
  150. Chen, Z.; Grumstrup, E. M.; Gilligan, A. T.; Papanikolas, J. M.; Schanze, K. S. Light-Harvesting Polymers: Ultrafast Energy Transfer in Polystyrene-Based Arrays of π-Conjugated Chromophores. J. Phys. Chem. B 2014, 118 (1), 372-378. http://dx.doi.org/10.1021/jp411565p
  151. Knauf, R. R.; Brennaman, M. K.; Alibabaei, L.; Norris, M. R.; Dempsey, J. L. Revealing the Relationship between Semiconductor Electronic Structure and Electron Transfer Dynamics at Metal Oxide–Chromophore Interfaces. J. Phys. Chem. C 2013, 117 (48), 25259-25268. http://dx.doi.org/10.1021/jp407587r
  152. Norris, M. R.; Concepcion, J. J.; Fang, Z.; Templeton, J. L.; Meyer, T. J. Low-Overpotential Water Oxidation by a Surface-Bound Ruthenium-Chromophore-Ruthenium-Catalyst Assembly. Angew. Chem. Int. Ed. 2013, 52 (51), 13580-13583. http://dx.doi.org/10.1002/anie.201305951
  153. Chen, Z.; Kang, P.; Zhang, M.-T.; Meyer, T. J. Making syngas electrocatalytically using a polypyridyl ruthenium catalyst. Chem. Commun. 2014, 50 (3), 335-337. http://dx.doi.org/10.1039/c3cc47251e
  154. Wang, L.; Ashford, D. L.; Thompson, D. W.; Meyer, T. J.; Papanikolas, J. M. Watching Photoactivation in a Ru(II) Chromophore–Catalyst Assembly on TiO2 by Ultrafast Spectroscopy. J. Phys. Chem. C 2013, 117 (46), 24250-24258. http://dx.doi.org/10.1021/jp410571x
  155. Kent, C. A.; Liu, D.; Ito, A.; Zhang, T.; Brennaman, M. K.; Meyer, T. J.; Lin, W. Rapid energy transfer in non-porous metal–organic frameworks with caged Ru(bpy)32+ chromophores: oxygen trapping and luminescence quenching. J. Mater. Chem. A 2013, 1 (47), 14982-14989. http://dx.doi.org/10.1039/c3ta14009a
  156. Norris, M. R.; Concepcion, J. J.; Glasson, C. R.; Fang, Z.; Lapides, A. M.; Ashford, D. L.; Templeton, J. L.; Meyer, T. J. Synthesis of Phosphonic Acid Derivatized Bipyridine Ligands and Their Ruthenium Complexes. Inorg. Chem. 2013, 52 (21), 12492-12501. http://dx.doi.org/10.1021/ic4014976
  157. Turlington, C. R.; Harrison, D. P.; White, P. S.; Brookhart, M.; Templeton, J. L. Probing the Oxidation Chemistry of Half-Sandwich Iridium Complexes with Oxygen Atom Transfer Reagents. Inorg. Chem. 2013, 52 (19), 11351-11360. http://dx.doi.org/10.1021/ic4016405
  158. Concepcion, J. J.; Binstead, R. A.; Alibabaei, L.; Meyer, T. J. Application of the Rotating Ring-Disc-Electrode Technique to Water Oxidation by Surface-Bound Molecular Catalysts. Inorg. Chem. 2013, 52 (19), 10744-10746. http://dx.doi.org/10.1021/ic402240t
  159. Michaux, K. E.; Murray, R. W. Formation of Iridium(IV) Oxide (IrOX) Films by Electroflocculation. Langmuir 2013, 29 (39), 12254-12258. http://dx.doi.org/10.1021/la4025876
  160. Lapides, A. M.; Ashford, D. L.; Hanson, K.; Torelli, D. A.; Templeton, J. L.; Meyer, T. J. Stabilization of a Ruthenium(II) Polypyridyl Dye on Nanocrystalline TiO2 by an Electropolymerized Overlayer. J. Am. Chem. Soc. 2013, 135 (41), 15450-15458. http://dx.doi.org/10.1021/ja4055977
  161. Hanson, K.; Losego, M. D.; Kalanyan, B.; Parsons, G. N.; Meyer, T. J. Stabilizing Small Molecules on Metal Oxide Surfaces Using Atomic Layer Deposition. Nano Lett. 2013, 13 (10), 4802-4809. http://dx.doi.org/10.1021/nl402416s
  162. Fang, Z.; Ito, A.; Stuart, A. C.; Luo, H.; Chen, Z.; Vinodgopal, K.; You, W.; Meyer, T. J.; Taylor, D. K. Soluble Reduced Graphene Oxide Sheets Grafted with Polypyridylruthenium-Derivatized Polystyrene Brushes as Light Harvesting Antenna for Photovoltaic Applications. ACS Nano 2013, 7 (9), 7992-8002. http://dx.doi.org/10.1021/nn403079z
  163. Alperovich, I.; Moonshiram, D.; Concepcion, J. J.; Pushkar, Y. Electronic Structure Assessment: Combined Density Functional Theory Calculations and Ru L2,3-Edge X-ray Absorption Near-Edge Spectroscopy of Water Oxidation Catalyst. J. Phys. Chem. C 2013, 117 (37), 18994-19001. http://dx.doi.org/10.1021/jp405648h
  164. Shenvi, N.; van Aggelen, H.; Yang, Y.; Yang, W.; Schwerdtfeger, C.; Mazziotti, D. The tensor hypercontracted parametric reduced density matrix algorithm: Coupled-cluster accuracy with O(r4) scaling. J. Chem. Phys. 2013, 139 (5), 054110. http://dx.doi.org/10.1063/1.4817184
  165. McNeil, I. J.; Alibabaei, L.; Ashford, D. L.; Fecko, C. J. Investigation of Factors That Affect Excited-State Lifetime Distribution of Dye-Sensitized Nanoparticle Films. J. Phys. Chem. C 2013, 117 (34), 17412-17420. http://dx.doi.org/10.1021/Jp404876k
  166. Fang, Z.; Ito, A.; Keinan, S.; Chen, Z.; Watson, Z.; Rochette, J.; Kanai, Y.; Taylor, D.; Schanze, K. S.; Meyer, T. J. Atom Transfer Radical Polymerization Preparation and Photophysical Properties of Polypyridylruthenium Derivatized Polystyrenes. Inorg. Chem. 2013, 52 (15), 8511-8520. http://dx.doi.org/10.1021/ic400520m
  167. Song, W.; Ito, A.; Binstead, R. A.; Hanson, K.; Luo, H.; Brennaman, M. K.; Concepcion, J. J.; Meyer, T. J. Accumulation of Multiple Oxidative Equivalents at a Single Site by Cross-Surface Electron Transfer on TiO2. J. Am. Chem. Soc. 2013, 135 (31), 11587-11594. http://dx.doi.org/10.1021/ja4032538
  168. West, B. A.; Molesky, B. P.; Giokas, P. G.; Moran, A. M. Uncovering molecular relaxation processes with nonlinear spectroscopies in the deep UV. Chem. Phys. 2013, 423, 92-104. http://dx.doi.org/10.1016/j.chemphys.2013.06.027
  169. Méndez, M. A.; Alibabaei, L.; Concepcion, J. J.; Meyer, T. J. Electrocatalysis on Oxide-Stabilized, High-Surface Area Carbon Electrodes. ACS Catal. 2013, 3 (8), 1850-1854. http://dx.doi.org/10.1021/cs4003595
  170. Lin, J.; Hu, X.; Zhang, P.; Van Rynbach, A.; Beratan, D. N.; Kent, C. A.; Mehl, B. P.; Papanikolas, J. M.; Meyer, T. J.; Lin, W.; Skourtis, S. S.; Constantinou, M. Triplet Excitation Energy Dynamics in Metal–Organic Frameworks. J. Phys. Chem. C 2013, 117 (43), 22250-22259. http://dx.doi.org/10.1021/jp401515r
  171. Wang, L.; Puodziukynaite, E.; Grumstrup, E. M.; Brown, A. C.; Keinan, S.; Schanze, K. S.; Reynolds, J. R.; Papanikolas, J. M. Ultrafast Formation of a Long-Lived Charge-Separated State in a Ru-Loaded Poly(3-hexylthiophene) Light-Harvesting Polymer. J. Phys. Chem. Lett. 2013, 4 (14), 2269-2273. http://dx.doi.org/10.1021/Jz401089v
  172. Kang, P.; Meyer, T. J.; Brookhart, M. Selective electrocatalytic reduction of carbon dioxide to formate by a water-soluble iridium pincer catalyst. Chem. Sci. 2013, 4 (9), 3497-3502. http://dx.doi.org/10.1039/C3sc51339d
  173. Grumstrup, E. M.; Chen, Z.; Vary, R. P.; Moran, A. M.; Schanze, K. S.; Papanikolas, J. M. Frequency Modulated Femtosecond Stimulated Raman Spectroscopy of Ultrafast Energy Transfer in a Donor-Acceptor Copolymer. J. Phys. Chem. B 2013, 117 (27), 8245-8255. http://dx.doi.org/10.1021/jp404498u
  174. Kent, C. A.; Concepcion, J. J.; Dares, C. J.; Torelli, D. A.; Rieth, A. J.; Miller, A. S.; Hoertz, P. G.; Meyer, T. J. Water Oxidation and Oxygen Monitoring by Cobalt-Modified Fluorine-Doped Tin Oxide Electrodes. J. Am. Chem. Soc. 2013, 135 (23), 8432-8435. http://dx.doi.org/10.1021/ja400616a
  175. Chen, Z.; Glasson, C. R.; Holland, P. L.; Meyer, T. J. Electrogenerated polypyridyl ruthenium hydride and ligand activation for water reduction to hydrogen and acetone to iso-propanol. Phys. Chem. Chem. Phys. 2013, 15 (24), 9503-9507. http://dx.doi.org/10.1039/c3cp51946e
  176. Brennaman, M. K.; Fleming, C. N.; Slate, C. A.; Serron, S. A.; Bettis, S. E.; Erickson, B. W.; Papanikolas, J. M.; Meyer, T. J. Distance Dependence of Intrahelix RuII* to OsII Polypyridyl Excited-State Energy Transfer in Oligoproline Assemblies. J. Phys. Chem. B 2013, 117 (21), 6352-6363. http://dx.doi.org/10.1021/jp400312f
  177. Harrison, D. P.; Lapides, A. M.; Binstead, R. A.; Concepcion, J. J.; Méndez, M. A.; Torelli, D. A.; Templeton, J. L.; Meyer, T. J. Coordination Chemistry of Single-Site Catalyst Precursors in Reductively Electropolymerized Vinylbipyridine Films. Inorg. Chem. 2013, 52 (9), 4747-4749. http://dx.doi.org/10.1021/ic302472r
  178. Le, K.; Chand, L. B.; Griffin, C.; Williams, A. L.; Taylor, D. K. Paraphenylene dimers with diphenylamine donor groups: synthesis and photophysics. Tetrahedron Lett. 2013, 54 (24), 3097-3100. http://dx.doi.org/10.1016/j.tetlet.2013.03.141
  179. Peng, Q.; Kalanyan, B.; Hoertz, P. G.; Miller, A.; Kim, D. H.; Hanson, K.; Alibabaei, L.; Liu, J.; Meyer, T. J.; Parsons, G. N.; Glass, J. T. Solution-Processed, Antimony-Doped Tin Oxide Colloid Films Enable High-Performance TiO2 Photoanodes for Water Splitting. Nano Lett. 2013, 13 (4), 1481-1488. http://dx.doi.org/10.1021/nl3045525
  180. Ok, M. R.; Ghosh, R.; Brennaman, M. K.; Lopez, R.; Meyer, T. J.; Samulski, E. T. Surface Patterning of Mesoporous Niobium Oxide Films for Solar Energy Conversion. ACS Appl. Mater. Interfaces 2013, 5 (8), 3469-3474. http://dx.doi.org/10.1021/am400598u
  181. Ma, D.; Bettis, S. E.; Hanson, K.; Minakova, M.; Alibabaei, L.; Fondrie, W.; Ryan, D. M.; Papoian, G. A.; Meyer, T. J.; Waters, M. L.; Papanikolas, J. M. Interfacial Energy Conversion in RuII Polypyridyl-Derivatized Oligoproline Assemblies on TiO2. J. Am. Chem. Soc. 2013, 135 (14), 5250-5253. http://dx.doi.org/10.1021/ja312143h
  182. Moonshiram, D.; Alperovich, I.; Concepcion, J. J.; Meyer, T. J.; Pushkar, Y. Experimental demonstration of radicaloid character in a RuV=O intermediate in catalytic water oxidation. Proc. Natl. Acad. Sci. USA 2013, 110 (10), 3765-3770. http://dx.doi.org/10.1073/pnas.1222102110
  183. Ito, A.; Stewart, D. J.; Knight, T. E.; Fang, Z.; Brennaman, M. K.; Meyer, T. J. Excited-State Dynamics in Rigid Media: Evidence for Long-Range Energy Transfer. J. Phys. Chem. B 2013, 117 (12), 3428-3438. http://dx.doi.org/10.1021/jp400514r
  184. Song, W. J.; Luo, H. L.; Hanson, K.; Concepcion, J. J.; Brennaman, M. K.; Meyer, T. J. Visualization of cation diffusion at the TiO2 interface in dye sensitized photoelectrosynthesis cells (DSPEC). Energy Environ. Sci. 2013, 6 (4), 1240-1248. http://dx.doi.org/10.1039/C3ee24184j
  185. Moonshiram, D.; Purohit, V.; Concepcion, J. J.; Meyer, T. J.; Pushkar, Y. Mechanism of Catalytic Water Oxidation by the Ruthenium Blue Dimer Catalyst: Comparative Study in D2O versus H2O. Materials 2013, 6 (2), 392-409. http://dx.doi.org/10.3390/ma6020392
  186. Chen, Z. F.; Kang, P.; Zhang, M.-T.; Stoner, B. R.; Meyer, T. J. Cu(II)/Cu(0) electrocatalyzed CO2 and H2O splitting. Energy Environ. Sci. 2013, 6 (3), 813-817. http://dx.doi.org/10.1039/C3ee24487c
  187. Alibabaei, L.; Luo, H. L.; House, R. L.; Hoertz, P. G.; Lopez, R.; Meyer, T. J. Applications of metal oxide materials in dye sensitized photoelectrosynthesis cells for making solar fuels: let the molecules do the work. J. Mater. Chem. A 2013, 1 (13), 4133-4145. http://dx.doi.org/10.1039/C2ta00935h
  188. Zhang, M.-T.; Chen, Z.; Kang, P.; Meyer, T. J. Electrocatalytic Water Oxidation with a Copper(II) Polypeptide Complex. J. Am. Chem. Soc. 2013, 135 (6), 2048-2051. http://dx.doi.org/10.1021/ja3097515
  189. Norris, M. R.; Concepcion, J. J.; Harrison, D. P.; Binstead, R. A.; Ashford, D. L.; Fang, Z.; Templeton, J. L.; Meyer, T. J. Redox Mediator Effect on Water Oxidation in a Ruthenium-Based Chromophore-Catalyst Assembly. J. Am. Chem. Soc. 2013, 135 (6), 2080-2083. http://dx.doi.org/10.1021/ja311645d
  190. West, B. A.; Giokas, P. G.; Molesky, B. P.; Ross, A. D.; Moran, A. M. Toward two-dimensional photon echo spectroscopy with 200 nm laser pulses. Opt. Express 2013, 21 (2), 2118-2125. http://dx.doi.org/10.1364/OE.21.002118
  191. Liu, S. Origin and Nature of Bond Rotation Barriers: A Unified View. J. Phys. Chem. A 2013, 117 (5), 962-965. http://dx.doi.org/10.1021/jp312521z
  192. Stewart, D. J.; Concepcion, J. J.; Brennaman, M. K.; Binstead, R. A.; Meyer, T. J. Accelerating slow excited state proton transfer. Proc. Natl. Acad. Sci. USA 2013, 110 (3), 876-880. http://dx.doi.org/10.1073/pnas.1220742110
  193. Stuart, A. C.; Tumbleston, J. R.; Zhou, H.; Li, W.; Liu, S.; Ade, H.; You, W. Fluorine Substituents Reduce Charge Recombination and Drive Structure and Morphology Development in Polymer Solar Cells. J. Am. Chem. Soc. 2013, 135 (5), 1806-1815. http://dx.doi.org/10.1021/ja309289u
  194. Wingard, L. A.; Finniss, M. C.; Norris, M.; White, P. S.; Brookhart, M.; Templeton, J. L. Synthesis, Structure, and Reactivity of Iridium(III) Complexes Containing a 4,6-Dimethyl-1,3-benzenediphenylimine Pincer Ligand. Inorg. Chem. 2013, 52 (1), 515-526. http://dx.doi.org/10.1021/ic302589b
  195. Giokas, P. G.; Miller, S. A.; Hanson, K.; Norris, M. R.; Glasson, C. R. K.; Concepcion, J. J.; Bettis, S. E.; Meyer, T. J.; Moran, A. M. Spectroscopy and Dynamics of Phosphonate-Derivatized Ruthenium Complexes on TiO2. J. Phys. Chem. C 2013, 117 (2), 812-824. http://dx.doi.org/10.1021/Jp310155q
  196. Luo, H. L.; Song, W. J.; Hoertz, P. G.; Hanson, K.; Ghosh, R.; Rangan, S.; Brennaman, M. K.; Concepcion, J. J.; Binstead, R. A.; Bartynski, R. A.; Lopez, R.; Meyer, T. J. A Sensitized Nb2O5 Photoanode for Hydrogen Production in a Dye-Sensitized Photoelectrosynthesis Cell. Chem. Mater. 2013, 25 (2), 122-131. http://dx.doi.org/10.1021/Cm3027972
  197. Hanson, K.; Losego, M. D.; Kalanyan, B.; Ashford, D. L.; Parsons, G. N.; Meyer, T. J. Stabilization of [Ru(bpy)2(4,4′-(PO3H2)bpy)]2+ on Mesoporous TiO2 with Atomic Layer Deposition of Al2O3. Chem. Mater. 2013, 25 (1), 3-5. http://dx.doi.org/10.1021/cm303172w
  198. Chen, Z.; Meyer, T. J. Copper(II) Catalysis of Water Oxidation. Angew. Chem. Int. Ed. 2013, 52 (2), 700-703. http://dx.doi.org/10.1002/anie.201207215
  199. Hanson, K.; Torelli, D. A.; Vannucci, A. K.; Brennaman, M. K.; Luo, H.; Alibabaei, L.; Song, W.; Ashford, D. L.; Norris, M. R.; Glasson, C. R.; Concepcion, J. J.; Meyer, T. J. Self-Assembled Bilayer Films of Ruthenium(II)/Polypyridyl Complexes through Layer-by-Layer Deposition on Nanostructured Metal Oxides. Angew. Chem. Int. Ed. 2012, 51 (51), 12782-12785. http://dx.doi.org/10.1002/anie.201206882
  200. Wang, C.; Wang, J. L.; Lin, W. Elucidating Molecular Iridium Water Oxidation Catalysts Using Metal-Organic Frameworks: A Comprehensive Structural, Catalytic, Spectroscopic, and Kinetic Study. J. Am. Chem. Soc. 2012, 134 (48), 19895-19908. http://dx.doi.org/10.1021/ja310074j
  201. Song, N.; Gagliardi, C. J.; Binstead, R. A.; Zhang, M.-T.; Thorp, H.; Meyer, T. J. Role of Proton-Coupled Electron Transfer in the Redox Interconversion between Benzoquinone and Hydroquinone. J. Am. Chem. Soc. 2012, 134 (45), 18538-18541. http://dx.doi.org/10.1021/ja308700t
  202. Ashford, D. L.; Song, W.; Concepcion, J. J.; Glasson, C. R.; Brennaman, M. K.; Norris, M. R.; Fang, Z.; Templeton, J. L.; Meyer, T. J. Photoinduced Electron Transfer in a Chromophore-Catalyst Assembly Anchored to TiO2. J. Am. Chem. Soc. 2012, 134 (46), 19189-19198. http://dx.doi.org/10.1021/ja3084362
  203. Wang, J.-L.; Wang, C.; Lin, W. Metal–Organic Frameworks for Light Harvesting and Photocatalysis. ACS Catal. 2012, 2 (12), 2630-2640. http://dx.doi.org/10.1021/cs3005874
  204. Zeng, X.; Hu, X.; Yang, W. Fragment-Based Quantum Mechanical/Molecular Mechanical Simulations of Thermodynamic and Kinetic Process of the Ru2+-Ru3+ Self-Exchange Electron Transfer. J. Chem. Theory Comput. 2012, 8 (12), 4960-4967. http://dx.doi.org/10.1021/ct300758v
  205. Hanson, K.; Ashford, D. L.; Concepcion, J. J.; Binstead, R. A.; Habibi, S.; Luo, H.; Glasson, C. R.; Templeton, J. L.; Meyer, T. J. Sensitized Photodecomposition of Organic Bisphosphonates By Singlet Oxygen. J. Am. Chem. Soc. 2012, 134 (41), 16975-16978. http://dx.doi.org/10.1021/ja307987g
  206. Chen, Z.; Concepcion, J. J.; Brennaman, M. K.; Kang, P.; Norris, M. R.; Hoertz, P. G.; Meyer, T. J. Splitting CO2 into CO and O2 by a single catalyst. Proc. Natl. Acad. Sci. USA 2012, 109 (39), 15606-15611. http://dx.doi.org/10.1073/pnas.1203122109
  207. Lin, X.; Hu, X.; Concepcion, J. J.; Chen, Z.; Liu, S.; Meyer, T. J.; Yang, W. Theoretical study of catalytic mechanism for single-site water oxidation process. Proc. Natl. Acad. Sci. USA 2012, 109 (39), 15669-15672. http://dx.doi.org/10.1073/pnas.1118344109
  208. Concepcion, J. J.; House, R. L.; Papanikolas, J. M.; Meyer, T. J. Chemical approaches to artificial photosynthesis. Proc. Natl. Acad. Sci. USA 2012, 109 (39), 15560-15564. http://dx.doi.org/10.1073/pnas.1212254109
  209. Ito, A.; Stewart, D. J.; Fang, Z.; Brennaman, M. K.; Meyer, T. J. Sensitization of ultra-long-range excited-state electron transfer by energy transfer in a polymerized film. Proc. Natl. Acad. Sci. USA 2012, 109 (38), 15132-15135. http://dx.doi.org/10.1073/pnas.1213646109
  210. Lim, E.; Kuznetsov, A. E.; Beratan, D. N. Effects of S-containing ligands on the structure and electronic properties of CdnSen/CdnTen nanoparticles (n = 3, 4, 6, and 9). Chem. Phys. 2012, 407, 97-109. http://dx.doi.org/10.1016/j.chemphys.2012.09.005
  211. Hanson, K.; Wilger, D. J.; Jones, S. T.; Harrison, D. P.; Bettis, S. E.; Luo, H.; Papanikolas, J. M.; Waters, M. L.; Meyer, T. J. Electron Transfer Dynamics of Peptide-Derivatized RuII -Polypyridyl Complexes on Nanocrystalline Metal Oxide Films. Biopolymers 2013, 100 (1), 25-37. http://dx.doi.org/10.1002/bip.22152
  212. Shenvi, N.; Yang, W. Achieving partial decoherence in surface hopping through phase correction. J. Chem. Phys. 2012, 137 (22), 22A528. http://dx.doi.org/10.1063/1.4746407
  213. Wang, L.; Puodziukynaite, E.; Vary, R. P.; Grumstrup, E. M.; Walczak, R. M.; Zolotarskaya, O. Y.; Schanze, K. S.; Reynolds, J. R.; Papanikolas, J. M. Competition between Ultrafast Energy Flow and Electron Transfer in a Ru(II)-Loaded Polyfluorene Light-Harvesting Polymer. J. Phys. Chem. Lett. 2012, 3 (17), 2453-2457. http://dx.doi.org/10.1021/Jz300979j
  214. Dai, G.-P.; Wu, M. H.; Taylor, D. K.; Brennaman, M. K.; Vinodgopal, K. Hybrid 3D graphene and aligned carbon nanofiber array architectures. RSC Adv. 2012, 2 (24), 8965-8968. http://dx.doi.org/10.1039/C2ra21084c
  215. Shenvi, N.; Tully, J. C. Nonadiabatic dynamics at metal surfaces: Independent electron surface hopping with phonon and electron thermostats. Faraday Discuss. 2012, 157, 325-335. http://dx.doi.org/10.1039/C2fd20032e
  216. Glasson, C. R.; Song, W.; Ashford, D. L.; Vannucci, A.; Chen, Z.; Concepcion, J. J.; Holland, P. L.; Meyer, T. J. Self-Assembled Bilayers on Indium-Tin Oxide (SAB-ITO) Electrodes: A Design for Chromophore-Catalyst Photoanodes. Inorg. Chem. 2012, 51 (16), 8637-8639. http://dx.doi.org/10.1021/ic300636w
  217. Wu, S.; Liu, S.; Sim, S.; Pedersen, L. G. Weak Antiferromagnetic Coupling via Superexchange Interaction between Mn(II)-Mn(II) Ions: A QM/MM Study of the Active Site of Human Cytosolic X-Propyl Aminopeptidase P. J. Phys. Chem. Lett. 2012, 3 (16), 2293-2297. http://dx.doi.org/10.1021/jz300768g
  218. McNeil, I. J.; Ashford, D. L.; Luo, H. L.; Fecko, C. J. Power-Law Kinetics in the Photoluminescence of Dye-Sensitized Nanoparticle Films: Implications for Electron Injection and Charge Transport. J. Phys. Chem. C 2012, 116 (30), 15888-15899. http://dx.doi.org/10.1021/Jp3030717
  219. Song, W.; Chen, Z.; Glasson, C. R.; Hanson, K.; Luo, H.; Norris, M. R.; Ashford, D. L.; Concepcion, J. J.; Brennaman, M. K.; Meyer, T. J. Interfacial Dynamics and Solar Fuel Formation in Dye-Sensitized Photoelectrosynthesis Cells. ChemPhysChem. 2012, 13 (12), 2882-2890. http://dx.doi.org/10.1002/cphc.201200100
  220. Weinberg, D. R.; Gagliardi, C. J.; Hull, J. F.; Murphy, C. F.; Kent, C. A.; Westlake, B. C.; Paul, A.; Ess, D. H.; McCafferty, D. G.; Meyer, T. J. Proton-Coupled Electron Transfer. Chem. Rev. 2012, 112 (7), 4016-4093. http://dx.doi.org/10.1021/cr200177j
  221. Hanson, K.; Brennaman, M. K.; Ito, A.; Luo, H.; Song, W.; Parker, K. A.; Ghosh, R.; Norris, M. R.; Glasson, C. R. K.; Concepcion, J. J.; Lopez, R.; Meyer, T. J. Structure–Property Relationships in Phosphonate-Derivatized, RuII Polypyridyl Dyes on Metal Oxide Surfaces in an Aqueous Environment. J. Phys. Chem. C 2012, 116 (28), 14837-14847. http://dx.doi.org/10.1021/jp304088d
  222. Wilger, D. J.; Bettis, S. E.; Materese, C. K.; Minakova, M.; Papoian, G. A.; Papanikolas, J. M.; Waters, M. L. Tunable Energy Transfer Rates via Control of Primary, Secondary, and Tertiary Structure of a Coiled Coil Peptide Scaffold. Inorg. Chem. 2012, 51 (21), 11324-11338. http://dx.doi.org/10.1021/ic300669t
  223. Ashford, D. L.; Stewart, D. J.; Glasson, C. R.; Binstead, R. A.; Harrison, D. P.; Norris, M. R.; Concepcion, J. J.; Fang, Z.; Templeton, J. L.; Meyer, T. J. An Amide-Linked Chromophore-Catalyst Assembly for Water Oxidation. Inorg. Chem. 2012, 51 (12), 6428-6430. http://dx.doi.org/10.1021/ic300061u
  224. Klukovich, H. M.; Kean, Z. S.; Black Ramirez, A. L.; Lenhardt, J. M.; Lin, J.; Hu, X.; Craig, S. L. Tension Trapping of Carbonyl Ylides Facilitated by a Change in Polymer Backbone. J. Am. Chem. Soc. 2012, 134 (23), 9577-9580. http://dx.doi.org/10.1021/ja302996n
  225. Brosnan, D.; Ghosh, R.; McNeil, L. E.; Lopez, R. Influence of ionic pretreatment on the performance of solid electrolyte dye-sensitized solar cells. Sol. Energy 2012, 86 (9), 2312-2317. http://dx.doi.org/10.1016/j.solener.2012.05.002
  226. Zhou, P.; Ayers, P. W.; Liu, S.; Li, T. Natural orbital Fukui function and application in understanding cycloaddition reaction mechanisms. Phys. Chem. Chem. Phys. 2012, 14 (28), 9890-9896. http://dx.doi.org/10.1039/c2cp40488e
  227. Li, Z.; Park, T.-H.; Rawson, J.; Therien, M. J.; Borguet, E. Quasi-Ohmic Single Molecule Charge Transport through Highly Conjugated meso-to-meso Ethyne-Bridged Porphyrin Wires. Nano Lett. 2012, 12 (6), 2722-2727. http://dx.doi.org/10.1021/nl2043216
  228. Wang, C.; deKrafft, K. E.; Lin, W. Pt Nanoparticles@Photoactive Metal-Organic Frameworks: Efficient Hydrogen Evolution via Synergistic Photoexcitation and Electron Injection. J. Am. Chem. Soc. 2012, 134 (17), 7211-7214. http://dx.doi.org/10.1021/ja300539p
  229. Jiang, N.; Zuber, G.; Keinan, S.; Nayak, A.; Yang, W. T.; Therien, M. J.; Beratan, D. N. Design of Coupled Porphyrin Chromophores with Unusually Large Hyperpolarizabilities. J. Phys. Chem. C 2012, 116 (17), 9724-9733. http://dx.doi.org/10.1021/Jp2115065
  230. Cooper, R.; Bartels, C.; Kandratsenka, A.; Rahinov, I.; Shenvi, N.; Golibrzuch, K.; Li, Z.; Auerbach, D. J.; Tully, J. C.; Wodtke, A. M. Multiquantum Vibrational Excitation of NO Scattered from Au(111): Quantitative Comparison of Benchmark Data to Ab Initio Theories of Nonadiabatic Molecule-Surface Interactions. Angew. Chem. Int. Ed. 2012, 51 (20), 4954-4958. http://dx.doi.org/10.1002/anie.201201168
  231. Kumar, N.; Liu, S.; Kozlowski, P. M. Charge Separation Propensity of the Coenzyme B12–Tyrosine Complex in Adenosylcobalamin-Dependent Methylmalonyl–CoA Mutase Enzyme. J. Phys. Chem. Lett. 2012, 3 (8), 1035-1038. http://dx.doi.org/10.1021/jz300102s
  232. Gambardella, A. A.; Feldberg, S. W.; Murray, R. W. Electron Transfer Dynamics of Iridium Oxide Nanoparticles Attached to Electrodes by Self-Assembled Monolayers. J. Am. Chem. Soc. 2012, 134 (13), 5774-5777. http://dx.doi.org/10.1021/ja301212r
  233. deKrafft, K. E.; Wang, C.; Lin, W. Metal-Organic Framework Templated Synthesis of Fe2O3/TiO2 Nanocomposite for Hydrogen Production. Adv. Mater. 2012, 24 (15), 2014-2018. http://dx.doi.org/10.1002/adma.201200330
  234. Vannucci, A. K.; Chen, Z.; Concepcion, J. J.; Meyer, T. J. Nonaqueous Electrocatalytic Oxidation of the Alkylaromatic Ethylbenzene by a Surface Bound RuV(O) Catalyst. ACS Catal. 2012, 2 (5), 716-719. http://dx.doi.org/10.1021/cs300040m
  235. Wang, C.; Xie, Z.; deKrafft, K. E.; Lin, W. Light-Harvesting Cross-Linked Polymers for Efficient Heterogeneous Photocatalysis. ACS Appl. Mater. Interfaces 2012, 4 (4), 2288-2294. http://dx.doi.org/10.1021/am3003445
  236. Kang, P.; Cheng, C.; Chen, Z.; Schauer, C. K.; Meyer, T. J.; Brookhart, M. Selective Electrocatalytic Reduction of CO2 to Formate by Water-Stable Iridium Dihydride Pincer Complexes. J. Am. Chem. Soc. 2012, 134 (12), 5500-5503. http://dx.doi.org/10.1021/ja300543s
  237. Sun, Y.; Chen, Z.; Puodziukynaite, E.; Jenkins, D. M.; Reynolds, J. R.; Schanze, K. S. Light Harvesting Arrays of Polypyridine Ruthenium(II) Chromophores Prepared by Reversible Addition–Fragmentation Chain Transfer Polymerization. Macromolecules 2012, 45 (6), 2632-2642. http://dx.doi.org/10.1021/ma202804u
  238. Moonshiram, D.; Jurss, J. W.; Concepcion, J. J.; Zakharova, T.; Alperovich, I.; Meyer, T. J.; Pushkar, Y. Structure and Electronic Configurations of the Intermediates of Water Oxidation in Blue Ruthenium Dimer Catalysis. J. Am. Chem. Soc. 2012, 134 (10), 4625-4636. http://dx.doi.org/10.1021/ja208636f
  239. Kent, C. A.; Liu, D.; Meyer, T. J.; Lin, W. Amplified Luminescence Quenching of Phosphorescent Metal-Organic Frameworks. J. Am. Chem. Soc. 2012, 134 (9), 3991-3994. http://dx.doi.org/10.1021/ja211271m
  240. Hanson, K.; Brennaman, M. K.; Luo, H.; Glasson, C. R.; Concepcion, J. J.; Song, W.; Meyer, T. J. Photostability of Phosphonate-Derivatized, RuII Polypyridyl Complexes on Metal Oxide Surfaces. ACS Appl. Mater. Interfaces 2012, 4 (3), 1462-1469. http://dx.doi.org/10.1021/am201717x
  241. Wang, J.-L.; Wang, C.; deKrafft, K. E.; Lin, W. Cross-linked Polymers with Exceptionally High Ru(bipy)32+ Loadings for Efficient Heterogeneous Photocatalysis. ACS Catal. 2012, 2 (3), 417-424. http://dx.doi.org/10.1021/cs300027n
  242. Vannucci, A. K.; Hull, J. F.; Chen, Z.; Binstead, R. A.; Concepcion, J. J.; Meyer, T. J. Water Oxidation Intermediates Applied to Catalysis: Benzyl Alcohol Oxidation. J. Am. Chem. Soc. 2012, 134 (9), 3972-3975. http://dx.doi.org/10.1021/ja210718u
  243. Kuznetsov, A. E.; Balamurugan, D.; Skourtis, S. S.; Beratan, D. N. Structural and Electronic Properties of Bare and Capped CdnSen/CdnTen Nanoparticles (n = 6, 9). J. Phys. Chem. C 2012, 116 (12), 6817-6830. http://dx.doi.org/10.1021/jp2109187
  244. deKrafft, K. E.; Wang, C.; Xie, Z.; Su, X.; Hinds, B. J.; Lin, W. Electrochemical Water Oxidation with Carbon-Grafted Iridium Complexes. ACS Appl. Mater. Interfaces 2012, 4 (2), 608-613. http://dx.doi.org/10.1021/am2018095
  245. Gagliardi, C. J.; Vannucci, A. K.; Concepcion, J. J.; Chen, Z. F.; Meyer, T. J. The role of proton coupled electron transfer in water oxidation. Energy Environ. Sci. 2012, 5 (7), 7704-7717. http://dx.doi.org/10.1039/C2ee03311a
  246. Jurss, J. W.; Concepcion, J. J.; Butler, J. M.; Omberg, K. M.; Baraldo, L. M.; Thompson, D. G.; Lebeau, E. L.; Hornstein, B.; Schoonover, J. R.; Jude, H.; Thompson, J. D.; Dattelbaum, D. M.; Rocha, R. C.; Templeton, J. L.; Meyer, T. J. Electronic Structure of the Water Oxidation Catalyst cis,cis-[(bpy)2(H2O)RuIIIORuIII(OH2)(bpy)2]4+, The Blue Dimer. Inorg. Chem. 2012, 51 (3), 1345-1358. http://dx.doi.org/10.1021/ic201521w
  247. Huang, Y.; Liu, L. H.; Liu, S. B. Towards understanding proton affinity and gas-phase basicity with density functional reactivity theory. Chem. Phys. Lett. 2012, 527, 73-78. http://dx.doi.org/10.1016/j.cplett.2012.01.014
  248. Shenvi, N.; Yang, W. An algebraic operator approach to electronic structure. J. Chem. Phys. 2011, 135 (24), 244111. http://dx.doi.org/10.1063/1.3671388
  249. Puodziukynaite, E.; Oberst, J. L.; Dyer, A. L.; Reynolds, J. R. Establishing Dual Electrogenerated Chemiluminescence and Multicolor Electrochromism in Functional Ionic Transition-Metal Complexes. J. Am. Chem. Soc. 2012, 134 (2), 968-978. http://dx.doi.org/10.1021/ja2065297
  250. Chen, Z.; Vannucci, A. K.; Concepcion, J. J.; Jurss, J. W.; Meyer, T. J. Proton-coupled electron transfer at modified electrodes by multiple pathways. Proc. Natl. Acad. Sci. USA 2011, 108 (52), E1461-E1469. http://dx.doi.org/10.1073/pnas.1115769108
  251. Huang, Y.; Liu, L.; Liu, W.; Liu, S.; Liu, S. Modeling Molecular Acidity with Electronic Properties and Hammett Constants for Substituted Benzoic Acids. J. Phys. Chem. A 2011, 115 (51), 14697-14707. http://dx.doi.org/10.1021/jp209540p
  252. Gagliardi, C. J.; Binstead, R. A.; Thorp, H. H.; Meyer, T. J. Concerted Electron-Proton Transfer (EPT) in the Oxidation of Tryptophan with Hydroxide as a Base. J. Am. Chem. Soc. 2011, 133 (49), 19594-19597. http://dx.doi.org/10.1021/ja207379n
  253. Gambardella, A. A.; Bjorge, N. S.; Alspaugh, V. K.; Murray, R. W. Voltammetry of Diffusing 2 nm Iridium Oxide Nanoparticles. J. Phys. Chem. C 2011, 115 (44), 21659-21665. http://dx.doi.org/10.1021/Jp206987z
  254. Polizzi, N. F.; Skourtis, S. S.; Beratan, D. N. Physical constraints on charge transport through bacterial nanowires. Faraday Discuss. 2012, 155, 43-62. http://dx.doi.org/10.1039/C1fd00098e
  255. Chen, Z.; Chen, C.; Weinberg, D. R.; Kang, P.; Concepcion, J. J.; Harrison, D. P.; Brookhart, M. S.; Meyer, T. J. Electrocatalytic reduction of CO2 to CO by polypyridyl ruthenium complexes. Chem. Commun. 2011, 47, 12607-12609. http://dx.doi.org/10.1039/c1cc15071e
  256. Ghosh, R.; Brennaman, M. K.; Uher, T.; Ok, M. R.; Samulski, E. T.; McNeil, L. E.; Meyer, T. J.; Lopez, R. Nanoforest Nb2O5 Photoanodes for Dye-Sensitized Solar Cells by Pulsed Laser Deposition. ACS Appl. Mater. Interfaces 2011, 3 (10), 3929-3935. http://dx.doi.org/10.1021/am200805x
  257. Alperovich, I.; Smolentsev, G.; Moonshiram, D.; Jurss, J. W.; Concepcion, J. J.; Meyer, T. J.; Soldatov, A.; Pushkar, Y. Understanding the Electronic Structure of 4d Metal Complexes: From Molecular Spinors to L-Edge Spectra of a di-Ru Catalyst. J. Am. Chem. Soc. 2011, 133 (39), 15786-15794. http://dx.doi.org/10.1021/ja207409q
  258. Miller, S. A.; West, B. A.; Curtis, A. C.; Papanikolas, J. M.; Moran, A. M. Communication: Uncovering molecule-TiO2 interactions with nonlinear spectroscopy. J. Chem. Phys. 2011, 135 (8), 081101. http://dx.doi.org/10.1063/1.3631339
  259. Wang, C.; Xie, Z.; deKrafft, K. E.; Lin, W. Doping Metal-Organic Frameworks for Water Oxidation, Carbon Dioxide Reduction, and Organic Photocatalysis. J. Am. Chem. Soc. 2011, 133 (34), 13445-13454. http://dx.doi.org/10.1021/ja203564w
  260. Kent, C. A.; Liu, D.; Ma, L.; Papanikolas, J. M.; Meyer, T. J.; Lin, W. Light Harvesting in Microscale Metal-Organic Frameworks by Energy Migration and Interfacial Electron Transfer Quenching. J. Am. Chem. Soc. 2011, 133 (33), 12940-12943. http://dx.doi.org/10.1021/ja204214t
  261. Song, W.; Glasson, C. R. K.; Luo, H.; Hanson, K.; Brennaman, M. K.; Concepcion, J. J.; Meyer, T. J. Photoinduced Stepwise Oxidative Activation of a Chromophore–Catalyst Assembly on TiO2. J. Phys. Chem. Lett. 2011, 2 (14), 1808-1813. http://dx.doi.org/10.1021/jz200773r
  262. Shenvi, N.; Subotnik, J. E.; Yang, W. Phase-corrected surface hopping: Correcting the phase evolution of the electronic wavefunction. J. Chem. Phys. 2011, 135 (2), 024101. http://dx.doi.org/10.1063/1.3603447
  263. Stewart, D. J.; Brennaman, M. K.; Bettis, S. E.; Wang, L.; Binstead, R. A.; Papanikolas, J. M.; Meyer, T. J. Competing Pathways in the photo-Proton-Coupled Electron Transfer Reduction of fac-[Re(bpy)(CO)3(4,4′-bpy]+* by Hydroquinone. J. Phys. Chem. Lett. 2011, 2 (15), 1844-1848. http://dx.doi.org/10.1021/jz2007512
  264. Subotnik, J. E.; Shenvi, N. Decoherence and surface hopping: When can averaging over initial conditions help capture the effects of wave packet separation? J. Chem. Phys. 2011, 134 (24), 244114. http://dx.doi.org/10.1063/1.3603448
  265. Lin, H.; Maggard, P. A. Investigation of Trimetallic Ligand-Pillared Oxyfluorides: Ag2Cu(pzc)2MOXF6−X (M = Mo, Nb, and W). J. Chem. Crystallogr. 2011, 41 (10), 1552-1559. http://dx.doi.org/10.1007/s10870-011-0139-y
  266. Yang, J.; Ferranti, D. C.; Stern, L. A.; Sanford, C. A.; Huang, J.; Ren, Z.; Qin, L.-C.; Hall, A. R. Rapid and precise scanning helium ion microscope milling of solid-state nanopores for biomolecule detection. Nanotechnology 2011, 22 (28), 285310. http://dx.doi.org/10.1088/0957-4484/22/28/285310
  267. Westlake, B. C.; Brennaman, M. K.; Concepcion, J. J.; Paul, J. J.; Bettis, S. E.; Hampton, S. D.; Miller, S. A.; Lebedeva, N. V.; Forbes, M. D.; Moran, A. M.; Meyer, T. J.; Papanikolas, J. M. Concerted electron-proton transfer in the optical excitation of hydrogen-bonded dyes. Proc. Natl. Acad. Sci. USA 2011, 108 (21), 8554-8558. http://dx.doi.org/10.1073/pnas.1104811108
  268. Liu, S.; Ess, D. H.; Schauer, C. K. Density Functional Reactivity Theory Characterizes Charge Separation Propensity in Proton-Coupled Electron Transfer Reactions. J. Phys. Chem. A 2011, 115 (18), 4738-4742. http://dx.doi.org/10.1021/jp112319d
  269. Shenvi, N.; Subotnik, J. E.; Yang, W. Simultaneous-trajectory surface hopping: A parameter-free algorithm for implementing decoherence in nonadiabatic dynamics. J. Chem. Phys. 2011, 134 (14), 144102. http://dx.doi.org/10.1063/1.3575588
  270. Lebedeva, N. V.; Schmidt, R. D.; Concepcion, J. J.; Brennaman, M. K.; Stanton, I. N.; Therien, M. J.; Meyer, T. J.; Forbes, M. D. Structural and pH Dependence of Excited State PCET Reactions Involving Reductive Quenching of the MLCT Excited State of [RuII(bpy)2(bpz)]2+ by Hydroquinones. J. Phys. Chem. A 2011, 115 (15), 3346-3356. http://dx.doi.org/10.1021/jp200381n
  271. Song, W.; Brennaman, M. K.; Concepcion, J. J.; Jurss, J. W.; Hoertz, P. G.; Luo, H.; Chen, C.; Hanson, K.; Meyer, T. J. Interfacial Electron Transfer Dynamics for [Ru(bpy)2((4,4′-PO3H2)2bpy)]2+ Sensitized TiO2 in a Dye-Sensitized Photoelectrosynthesis Cell: Factors Influencing Efficiency and Dynamics. J. Phys. Chem. C 2011, 115 (14), 7081-7091. http://dx.doi.org/10.1021/jp200124k
  272. Song, W. J.; Chen, Z. F.; Brennaman, M. K.; Concepcion, J. J.; Patrocinio, A. O. T.; Iha, N. Y. M.; Meyer, T. J. Making solar fuels by artificial photosynthesis. Pure Appl. Chem. 2011, 83 (4), 749-768. http://dx.doi.org/10.1351/Pac-Con-10-11-09
  273. Price, S. C.; Stuart, A. C.; Yang, L.; Zhou, H.; You, W. Fluorine Substituted Conjugated Polymer of Medium Band Gap Yields 7% Efficiency in Polymer-Fullerene Solar Cells. J. Am. Chem. Soc. 2011, 133 (12), 4625-4631. http://dx.doi.org/10.1021/ja1112595
  274. Zhou, H.; Yang, L.; Stuart, A. C.; Price, S. C.; Liu, S.; You, W. Development of Fluorinated Benzothiadiazole as a Structural Unit for a Polymer Solar Cell of 7% Efficiency. Angew. Chem. Int. Ed. 2011, 50 (13), 2995-2998. http://dx.doi.org/10.1002/anie.201005451
  275. Huang, Y.; Zhong, A.-G.; Yang, Q.; Liu, S. Origin of anomeric effect: A density functional steric analysis. J. Chem. Phys. 2011, 134 (8), 084103. http://dx.doi.org/10.1063/1.3555760
  276. Brennaman, M. K.; Patrocinio, A. O. T.; Song, W.; Jurss, J. W.; Concepcion, J. J.; Hoertz, P. G.; Traub, M. C.; Iha, N. Y. M.; Meyer, T. J. Interfacial Electron Transfer Dynamics Following Laser Flash Photolysis of [Ru(bpy)2((4,4′-PO3H2)2bpy)]2+ in TiO2 Nanoparticle Films in Aqueous Environments. ChemSusChem. 2011, 4 (2), 216-227. http://dx.doi.org/10.1002/cssc.201000356
  277. Gagliardi, C. J.; Jurss, J. W.; Thorp, H. H.; Meyer, T. J. Surface Activation of Electrocatalysis at Oxide Electrodes. Concerted Electron-Proton Transfer. Inorg. Chem. 2011, 50 (6), 2076-2078. http://dx.doi.org/10.1021/ic102524f
  278. Burger, S. K.; Liu, S.; Ayers, P. W. Practical Calculation of Molecular Acidity with the Aid of a Reference Molecule. J. Phys. Chem. A 2011, 115 (7), 1293-1304. http://dx.doi.org/10.1021/jp111148q
  279. Xie, Z.; Wang, C.; deKrafft, K. E.; Lin, W. Highly Stable and Porous Cross-Linked Polymers for Efficient Photocatalysis. J. Am. Chem. Soc. 2011, 133 (7), 2056-2059. http://dx.doi.org/10.1021/ja109166b
  280. Paul, A.; Hull, J. F.; Norris, M. R.; Chen, Z.; Ess, D. H.; Concepcion, J. J.; Meyer, T. J. Multiple Pathways for Benzyl Alcohol Oxidation by RuV=O3+ and RuIV=O2+. Inorg. Chem. 2011, 50 (4), 1167-1169. http://dx.doi.org/10.1021/ic1024923
  281. Subotnik, J. E.; Shenvi, N. A new approach to decoherence and momentum rescaling in the surface hopping algorithm. J. Chem. Phys. 2011, 134 (2), 024105. http://dx.doi.org/10.1063/1.3506779
  282. Miller, S. A.; Stuart, A. C.; Womick, J. M.; Zhou, H. X.; You, W.; Moran, A. M. Excited-State Photophysics in a Low Band Gap Polymer with High Photovoltaic Efficiency. J. Phys. Chem. C 2011, 115 (5), 2371-2380. http://dx.doi.org/10.1021/Jp108534d
  283. Tsuchiya, T.; Whitten, J. L. Theoretical Study of the Molecular and Electronic Structures of TiO4H4, Ti2O7H6, and Ti2O6H4. J. Phys. Chem. C 2011, 115 (5), 1635-1642. http://dx.doi.org/10.1021/jp109393x
  284. Ess, D. H.; Johnson, E. R.; Hu, X.; Yang, W. Singlet-Triplet Energy Gaps for Diradicals from Fractional-Spin Density-Functional Theory. J. Phys. Chem. A 2011, 115 (1), 76-83. http://dx.doi.org/10.1021/jp109280y
  285. Meyer, T. J.; Papanikolas, J. M.; Heyer, C. M. Solar Fuels and Next Generation Photovoltaics: The UNC-CH Energy Frontier Research Center. Catal. Lett. 2011, 141 (1), 1-7. http://dx.doi.org/10.1007/s10562-010-0495-9
  286. Chen, Z.; Concepcion, J. J.; Luo, H.; Hull, J. F.; Paul, A.; Meyer, T. J. Nonaqueous Catalytic Water Oxidation. J. Am. Chem. Soc. 2010, 132 (50), 17670-17673. http://dx.doi.org/10.1021/ja107347n
  287. Ess, D. H.; Liu, S.; De Proft, F. Density Functional Steric Analysis of Linear and Branched Alkanes. J. Phys. Chem. A 2010, 114 (49), 12952-12957. http://dx.doi.org/10.1021/jp108577g
  288. Shenvi, N.; Izmaylov, A. F. Active-Space N-Representability Constraints for Variational Two-Particle Reduced Density Matrix Calculations. Phys. Rev. Lett. 2010, 105 (21), 213003. http://dx.doi.org/10.1103/PhysRevLett.105.213003
  289. Chen, Z.; Concepcion, J. J.; Meyer, T. J. Rapid catalytic water oxidation by a single site, Ru carbene catalyst. Dalton Trans. 2011, 40 (15), 3789-3792. http://dx.doi.org/10.1039/c0dt01178a
  290. Ess, D. H.; Schauer, C. K.; Meyer, T. J. Theory of Hydride-Proton Transfer (HPT) Carbonyl Reduction by [OsIII(tpy)(Cl)(NH=CHCH3)(NSAr)]. J. Am. Chem. Soc. 2010, 132 (46), 16318-16320. http://dx.doi.org/10.1021/ja106403e
  291. Singh-Rachford, T. N.; Nayak, A.; Muro-Small, M. L.; Goeb, S.; Therien, M. J.; Castellano, F. N. Supermolecular-Chromophore-Sensitized Near-Infrared-to-Visible Photon Upconversion. J. Am. Chem. Soc. 2010, 132 (40), 14203-14211. http://dx.doi.org/10.1021/ja105510k
  292. Kent, C. A.; Mehl, B. P.; Ma, L.; Papanikolas, J. M.; Meyer, T. J.; Lin, W. Energy Transfer Dynamics in Metal-Organic Frameworks. J. Am. Chem. Soc. 2010, 132 (37), 12767-12769. http://dx.doi.org/10.1021/ja102804s
  293. Hoertz, P. G.; Goldstein, A.; Donley, C.; Meyer, T. J. Using the Voids. Evidence for an Antenna Effect in Dye-Sensitized Mesoporous TiO2 Thin Films. J. Phys. Chem. B 2010, 114 (45), 14772-14777. http://dx.doi.org/10.1021/jp103867j
  294. Hoertz, P. G.; Chen, Z.; Kent, C. A.; Meyer, T. J. Application of High Surface Area Tin-Doped Indium Oxide Nanoparticle Films as Transparent Conducting Electrodes. Inorg. Chem. 2010, 49 (18), 8179-8181. http://dx.doi.org/10.1021/ic100719r
  295. Chen, Z.; Concepcion, J. J.; Hull, J. F.; Hoertz, P. G.; Meyer, T. J. Catalytic water oxidation on derivatized nanoITO. Dalton Trans. 2010, 39 (30), 6950-6952. http://dx.doi.org/10.1039/c0dt00362j
  296. Chen, Z.; Concepcion, J. J.; Hu, X.; Yang, W.; Hoertz, P. G.; Meyer, T. J. Concerted O atom-proton transfer in the O–O bond forming step in water oxidation. Proc. Natl. Acad. Sci. USA 2010, 107 (16), 7225-7229. http://dx.doi.org/10.1073/pnas.1001132107
  297. Liu, S.; Hu, H.; Pedersen, L. G. Steric, Quantum, and Electrostatic Effects on SN2 Reaction Barriers in Gas Phase. J. Phys. Chem. A 2010, 114 (18), 5913-5918. http://dx.doi.org/10.1021/jp101329f
  298. Jurss, J. W.; Concepcion, J. C.; Norris, M. R.; Templeton, J. L.; Meyer, T. J. Surface Catalysis of Water Oxidation by the Blue Ruthenium Dimer. Inorg. Chem. 2010, 49 (9), 3980-3982. http://dx.doi.org/10.1021/ic100469x
  299. Gagliardi, C. J.; Westlake, B. C.; Kent, C. A.; Paul, J. J.; Papanikolas, J. M.; Meyer, T. J. Integrating proton coupled electron transfer (PCET) and excited states. Coord. Chem. Rev. 2010, 254 (21-22), 2459-2471. http://dx.doi.org/10.1016/j.ccr.2010.03.001
  300. Williams, S. S.; Retterer, S.; Lopez, R.; Ruiz, R.; Samulski, E. T.; DeSimone, J. M. High-Resolution PFPE-based Molding Techniques for Nanofabrication of High-Pattern Density, Sub-20 nm Features: A Fundamental Materials Approach. Nano Lett. 2010, 10 (4), 1421-1428. http://dx.doi.org/10.1021/nl100326q
  301. Hampton, M. J.; Templeton, J. L.; DeSimone, J. M. Direct Patterning of CdSe Quantum Dots into Sub-100 nm Structures. Langmuir 2010, 26 (5), 3012-3015. http://dx.doi.org/10.1021/la904787k
  302. Miller, S. A.; Moran, A. M. Nonlinear Optical Detection of Electron Transfer Adiabaticity in Metal Polypyridyl Complexes. J. Phys. Chem. A 2010, 114 (5), 2117-2126. http://dx.doi.org/10.1021/jp9092145
  303. Concepcion, J. J.; Tsai, M.-K.; Muckerman, J. T.; Meyer, T. J. Mechanism of Water Oxidation by Single-Site Ruthenium Complex Catalysts. J. Am. Chem. Soc. 2010, 132 (5), 1545-1557. http://dx.doi.org/10.1021/ja904906v
  304. Concepcion, J. J.; Jurss, J. W.; Norris, M. R.; Chen, Z.; Templeton, J. L.; Meyer, T. J. Catalytic Water Oxidation by Single-Site Ruthenium Catalysts. Inorg. Chem. 2010, 49 (4), 1277-1279. http://dx.doi.org/10.1021/ic901437e
  305. Xie, Z.; Ma, L.; deKrafft, K. E.; Jin, A.; Lin, W. Porous Phosphorescent Coordination Polymers for Oxygen Sensing. J. Am. Chem. Soc. 2010, 132 (3), 922-923. http://dx.doi.org/10.1021/ja909629f