EFRC

UNC EFRC Peer-Reviewed Publications 2012 - 50 Publications

57. Polizzi, N. F.; Skourtis, S. S.; Beratan, D. N. Physical constraints on charge transport through bacterial nanowires. Faraday Discuss. 2012, 155, 43-62. LINK

58. 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. LINK

59. 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. LINK

60. 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. LINK

61. 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. LINK

62. Kuznetsov, A. E.; Balamurugan, D.; Skourtis, S. S.; Beratan, D. N. Structural and Electronic Properties of Bare and Capped CdnSen/CdnTenNanoparticles (n= 6, 9). J. Phys. Chem. C 2012, 116 (12), 6817-6830. LINK

63. 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. LINK

64. 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. LINK

65. 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. LINK

66. 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. LINK

67. 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. LINK

68. 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. LINK

69. 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. LINK

70. 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. LINK

71. 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. LINK

72. 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. LINK

73. 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. LINK

74. 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. LINK

75. 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. LINK

76. 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. LINK

77. 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. LINK

78. 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. LINK

79. 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. LINK

80. 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. LINK

81. 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. LINK

82. 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. LINK

83. 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. LINK

84. 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. LINK

85. 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. LINK

86. 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. LINK

87. 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. LINK

88. Wu, S.; Liu, S.; Sim, S.; Pedersen, L. G. Weakly Antiferromagentic Coupling Via Superexchange Interaction Between Mn(II)-Mn(II) Atoms: A QM/MM Study of the Active Site of Human Cytosolic X-Propyl Aminopeptidase P. J Phys Chem Lett 2012, 3 (16), 2293-2297. LINK

89. 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. LINK

90. 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. LINK

91. 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. LINK

92. 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. LINK

93. Shenvi, N.; Yang, W. Achieving partial decoherence in surface hopping through phase correction. J. Chem. Phys. 2012, 137 (22), 22A528. LINK

94. 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. LINK

95. 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. LINK

96. 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. LINK

97. 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. LINK

98. 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. LINK

99. 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. LINK

100.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. LINK

101.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. LINK

102.Wang, J.-L.; Wang, C.; Lin, W. Metal–Organic Frameworks for Light Harvesting and Photocatalysis. ACS Catal. 2012, 2 (12), 2630-2640. LINK

103.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. LINK

104.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. LINK

105.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.LINK

106.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. LINK