Peer-reviewed publications of research supported in part or in whole under an EFRC are listed below. Publications are ordered first by year, then alphabetically by EFRC acronym, and finally alphabetically by first author. Links to the DOI and associated EFRC appear at the end of each citation. The publication list is updated periodically; the last such update was May 21, 2014.

3601.Rinnerbauer, V; Ndao, S; Yeng, Y X; Walker, R C; Senkevich, J; Joannopoulos, J D; Soljacic, Marin; and Celanovic, I  Recent development in high-temperature photonic crystals for energy conversation  Energy & Environmental Science, 5, 8815 (2012).  [DOI:External link] [S3TEC]
3602.Shiga, T; Shiomi, J; Delaire, Olivier; Esfarjani, Keivan; and Chen, Gang  Microscopic mechanism of low thermal conductivity in lead-telluride  Physical Review B, 85, 155203 (2012).  [DOI:External link] [S3TEC]
3603.Tian, Z; Esfarjani, Keivan; and Chen, Gang  Enhancing Phonon Transmission Across Si/Ge Interface by Atomic Roughness: First-principles Study with the Green's Function Method  Physical Review B, 86, 235304 (2012).  [DOI: 10.1103/PhysRevB.86.235304External link] [S3TEC]
3604.Tian, Z; Garg, J; Esfarjani, Keivan; Shiga, T; and Shiomi, J  Phonon Conduction in Lead Selenide and Lead Telluride from First Principles Calculations  Physical Review B, 85, 184303 (2012).  [DOI:External link] [S3TEC]
3605.Wei, Y; Wu, J.; Yin, H; Shi, X; Yang, R; and Dresselhaus, M S  The nature of strength enhancement and weakening by pentagon-heptagon defects in graphene  Nature Materials, 11 (9), 759-763 (2012).  [DOI: 10.1038/NMAT3370External link] [S3TEC]
3606.Xi, L; Zhang, B; Shi, X Y; Yang, J; Shi, X; Chen, L D; Zhang, W. ; Yang, J; and Singh, David J.  Chemical bonding, conductive network, and thermoelectric performance of the ternary semiconductors Cu2SnX3(X=Se,S) from first principles  Physical Review B, 86, 155201 (2012).  [DOI:External link] [S3TEC]
3607.Yan, X; Liu, W.; Wang, H; Chen, S.; Shiomi, J; Esfarjani, Keivan; Wang, H; Wang, D.; Chen, Gang; and Ren, Z. F.  Stronger phonon scattering by larger differences in atomic mass and size in p-type half-Heuslers Hf1-xTixCoSb0.8Sn0.2  Energy and Environmental Science, 5, 7543-7548 (2012).  [DOI:External link] [S3TEC]
3608.Yeng, Y X; Ghebrebrhan, M; Bermel, P; Chan, Walker; Joannopoulos, J D; Soljacic, Marin; and Celanovic, I  Enabling high-temperature nanophotonics for energy applications  PNAS, 109, No. 7, P.2280 (2012).  [DOI:External link] [S3TEC]
3609.Yu, Bo; Zebarjadi, Mona; Lukas, K; Wang, H; Wang, H; Opeil, C; Dresselhaus, M S; Chen, Gang; and Ren, Z. F.  Enhancement of thermoelectric properties by modulation-doping in silicon germanium alloy nanocomposites  Nano Letters, 12 (4), 2077-2082 (2012).  [DOI:External link] [S3TEC]
3610.Yu, Bo; Liu, W S; Chen, S.; Wang, H; Chen, Gang; and Ren, Z. F.  Thermoelectric properties of Copper Selenide with Ordered Selenium Layer and Discolored Cu Layer  Nano Energy, 1, 472-478 (2012).  [DOI:External link] [S3TEC]
3611.Zebarjadi, Mona; Yang, J; Lukas, K; Kozinsky, B; Yu, Bo; Dresselhaus, M S; Opeil, C; Ren, Z. F.; and Chen, Gang  Role of phonon dispersion in studying phonon mean free paths in Skutterdites  Journal of Applied Physics, 112, 044305 (2012).  [DOI:External link] [S3TEC]
3612.Zhang, Qian; Cao, Feng; Lukas, K; Liu, W S; Esfarjani, Keivan; Opeil, C; Broido, D; Parker, David; Singh, David J.; Chen, Gang; and Ren, Z. F.  Study of the Thermoelectric Properties of Lead Selenide Doped with Boron, Gallium, Indium, or Thallium  Journal of the American Chemical Society, 134, 17731-17738 (2012).  [DOI: 10.1021/ja307910uExternal link] [S3TEC]
3613.Zhang, Qian; Cao, Fang; Liu, W.; Lukas, K; Yu, Bo; Chen, S.; Opeil, C; Broido, D; Chen, Gang; and Ren, Z. F.  Heavy Doping and Band Engineering by Potassium to Improve the Thermoelectric Figure of Merit in p-Type PbTe, PbSe, and PbTe(1-y)Se(y)  Journal of the American Chemical Society, 134, 10031-10038 (2012).  [DOI:External link] [S3TEC]
3614.Zhang, Y.; Mehta, R J; Belley, M; Han, L; Ramanath, G; and Borca-Tasciuc, T  Lattice Thermal Conductivity Diminution and High Thermoelectric Power Factor Retention in Nanoporous Macroassemblies of Sulfur-doped Bismuth Telluride Nanocrystals  Applied Physics Letters, 100, 1193113 1-4 (2012).  [DOI:External link] [S3TEC]
3615.Zhang, Qinyong; Wang, H; Zhang, Qian; Liu, W.; Yu, Bo; Wang, H; Wang, D.; Ni, G; Chen, Gang; and Ren, Z. F.  Effect of silicon and sodium on thermoelectric properties of thallium doped lead telluride based materials  Nano Letters, 12 (5), 2234-2330 (2012).  [DOI:External link] [S3TEC]
3616.Armstrong, Andrew; Henry, Tania A.; Koleske, Daniel D.; Crawford, Mary H.; Westlake, Karl R.; and Lee, Stephen R.  Dependence of radiative efficiency and deep level defect incorporation on threading dislocation density for InGaN/GaN light emitting diodes  Applied Physics Letters, 101, 162102 (2012).  [DOI: 10.1063/1.4759003External link] [SSLS]
3617.Armstrong, Andrew; Henry, Tania A.; Koleske, Daniel D.; Crawford, Mary H.; and Lee, Stephen R.  Quantitative and depth-resolved deep level defect distributions in InGaN/GaN light emitting diodes  Optics Express, 20, A812-A821 (2012).  [DOI: 10.1364/OE.20.00A812External link] [SSLS]
3618.Henry, Tania A.; Armstrong, Andrew; Kelchner, Kathryn M. ; Nakamura, Shuji; DenBaars, Steven; and Speck, J. S.  Assessment of deep level defects in m-plane GaN grown by metalorganic chemical vapor deposition  Applied Physics Letters, 100, 082103 (2012).  [DOI: 10.1063/1.3687700External link] [SSLS]
3619.Leung, Benjamin; Sun, Qian; Yerino, Christopher D.; Han, Jung; and Coltrin, Michael E.  Using the kinetic Wulff plot to design and control nonpolar and semipolar GaN heteroepitaxy  Semicond. Sci. Technol., 27, 024005 (2012).  [DOI: 10.1088/0268-1242/27/2/024005External link] [SSLS]
3620.Li, Qiming; Wright, Jeremy B.; Chow, Weng W.; Luk, Ting Shan; Brener, Igal; Lester, Luke F.; and Wang, George T.  Single-mode GaN nanowire lasers  Optics Express, 20, 17873-17879 (2012).  [DOI: 10.1364/OE.20.017873External link] [SSLS]
3621.Li, Qiming; Figiel, Jeffrey J. ; Wang, George T.; Xu, Huiwen; and Balakrishnan, Ganesh  GaN epitaxy on Cu(111) by metal organic chemical vapor deposition  Applied Physics Letters, 100, 192110 (2012).  [DOI: 10.1063/1.4714738External link] [SSLS]
3622.Lin, Guan-Bo; Shan, Qifeng; Birkel, Andrew J.; Cho, Jaehee; Schubert, E. Fred; Crawford, Mary H.; Westlake, Karl R.; and Koleske, Daniel D.  Method for determining the radiative efficiency of GaInN quantum wells based on the width of efficiency-versus-carrier-concentration curve  Appl. Phys. Lett., 101, 241104 (2012).  [DOI: 10.1063/1.4770317External link] [SSLS]
3623.Lin, Guan-Bo; Meyaard, David S.; Cho, Jaehee; Schubert, E. Fred; Shim, Hyunwook; and Sone, Cheolsoo  Analytic model for the efficiency droop in semiconductors with asymmetric carrier-transport properties based on drift-induced reductin of injection efficiency  Applied Physics Letters, 100, 161106 (2012).  [DOI: 10.1063/1.4704366External link] [SSLS]
3624.Lingnau, Benjamin; Ludge, Kathy; Chow, Weng W.; and Scholl, Eckehard  Failure of the α factor in describing dynamical instabilities and chaos in quantum-dot lasers  Phys. Rev. E, 86, 065201(R) (2012).  [DOI: 10.1103/PhysRevE.86.065201External link] [SSLS]
3625.Lingnau, Benjamin; Ludge, Kathy; Chow, Weng W.; and Scholl, Eckehard  Influencing modulation properties of quantum-dot semiconductor lasers by carrier lifetime engineering  Appl. Phys. Lett., 101, 131107 (2012).  [DOI: 10.1063/1.4754588External link] [SSLS]
3626.Lyo, S. Ken  Photon-exchange energy transfer of an electron-hole plasma between quasi-two-dimensional semiconductor layers  Journal of Luminescence, 132, 3035 (2012).  [DOI: 10.1016/j.jlumin.2012.06.033External link] [SSLS]
3627.Ma, Ming; Cho, Jaehee; Schubert, E. Fred; Park, Yongjo; Kim, Gi Bum; and Sone, Cheolsoo  Strong light-extraction enhancement in GaInN light-emitting diodes patterned with TiO2 micro-pillars with tapered sidewalls  Applied Physics Letters, 101, 141105 (2012).  [DOI: 10.1063/1.4756797External link] [SSLS]
3628.Ma, Ming; Meyaard, David S.; Shan, Qifeng; Cho, Jaehee; Schubert, E. Fred; Kim, Gi Bum; Kim, Min-Ho; and Sone, Cheolsoo  Polarized light emission from GaInN light-emitting diodes embedded with subwavelength aluminum wire-grid polarizers  Applied Physics Letters, 101, 061103 (2012).  [DOI: 10.1063/1.4744422External link] [SSLS]
3629.Ma, Ming; Noemaun, A. N.; Cho, Jaehee; Schubert, E. Fred; Kim, Gi Bum; and Sone, Cheolsoo  Emission pattern control and polarized light emission through patterned graded-refractiveindex coatings on GaInN light-emitting diodes  Optics Express, 20, 16677 (2012).  [DOI: 10.1364/OE.20.016677External link] [SSLS]
3630.Mont, Frank W.; Fischer, Arthur J.; Noemaun, A. N.; Poxson, David J.; Cho, Jaehee; Schubert, E. Fred; Crawford, Mary H.; Koleske, Daniel D.; and Fullmer, Kristine W.  Enhanced light-extraction from a GaN waveguide using micro-pillar TiO2–SiO2 graded-refractive-index layers  Phys. Status Solidi A, 209, 2277 (2012).  [DOI: 10.1002/pssa.201228295External link] [SSLS]
3631.Riley, James R.; Bernal, Rodrigo A.; Li, Qiming; Espinosa, Horacio D. ; Wang, George T.; and Lauhon, Lincoln J.  Atom Probe Tomography of a-Axis GaN Nanowires: Analysis of Nonstoichiometric Evaporation Behavior  ACS Nano, 6, 3898 (2012).  [DOI: 10.1021/nn2050517External link] [SSLS]
3632.Saunders, Harry D.; and Tsao, Jeffrey Y.  Rebound effects for lighting  Energy Policy, 49, 477 (2012).  [DOI: 10.1016/j.enpol.2012.06.050External link] [SSLS]
3633.Shan, Qifeng; Cho, Yong Suk; Lin, Guan-Bo; Meyaard, David S.; Cho, Jaehee; Schubert, E. Fred; Son, Joong Kon; and Sone, Cheolsoo  Analysis of parasitic cyan luminescence occurring in GaInN blue light-emitting diodes  Journal of Applied Physics, 112, 074512 (2012).  [DOI: 10.1063/1.4754829External link] [SSLS]
3634.Shea-Rohwer, Lauren E.; Martin, James E.; Cai, Xichen; and Kelley, David F.  Red-emitting quantum dots for solid-state lighting  ECS J. Solid State Sci. Technol., 2, R3112 (2012).  [DOI: 10.1149/2.015302jssExternal link] [SSLS]
3635.Shim, Jong-Im; Han, Dong-Pyo; Kim, Hyunsung; Shin, Dong-Soo; Lin, Guan-Bo; Meyaard, David S.; Shan, Qifeng; Cho, Jaehee; Schubert, E. Fred; Shim, Hyunwook; and Sone, Cheolsoo  Efficiency droop in AlGaInP and GaInN light-emitting diodes  Applied Physics Letters, 100, 111106 (2012).  [DOI: 10.1063/1.3694044External link] [SSLS]
3636.Wierer, Jonathan J.; Li, Qiming; Koleske, Daniel D.; Lee, Stephen R. ; and Wang, George T.  III-nitride core-shell nanowire arrayed solar cells  Nanotechnology, 23, 194007 (2012).  [DOI: 10.1088/0957-4484/23/19/194007External link] [SSLS]
3637.Xu, Huiwen; Wright, Jeremy B.; Hurtado, Antonio; Li, Qiming; Luk, Ting Shan; Figiel, Jeffrey J. ; Cross, Karen C.; Balakrishnan, Ganesh; Lester, Luke F.; Brener, Igal; and Wang, George T.  Gold substrate-induced single-mode lasing of GaN nanowires  Applied Physics Letters, 101, 221114 (2012).  [DOI: 10.1063/1.4768300External link] [SSLS]
3638.Xu, Huiwen; Wright, Jeremy B.; Luk, Ting Shan; Figiel, Jeffrey J. ; Cross, Karen C.; Lester, Luke F.; Balakrishnan, Ganesh; Wang, George T.; Brener, Igal; and Li, Qiming  Single-mode lasing of GaN nanowire-pairs  Applied Physics Letters, 101, 113106 (2012).  [DOI: 10.1063/1.4751862External link] [SSLS]
3639.Zhu, Di; Schubert, Martin F.; Xu, Jiuru; Cho, Jaehee; Schubert, E. Fred; Crawford, Mary H.; and Koleske, Daniel D.  Genetic algorithm for innovative designs in high efficiency III-V nitride light-emitting diodes  Applied Physics Express, 5, 012102 (2012).  [DOI: 10.1143/APEX.5.012102External link] [SSLS]
3640.Zvanut, Mary Ellen; Willoughby, W. R.; and Koleske, Daniel D.  The source of holes in p-type InxGa1-xN filme  Journal of Applied Physics, 112, 086102 (2012).  [DOI: 10.1063/1.4759242External link] [SSLS]
3641.Brosnan, D.; Ghosh, R.; McNeil, L.E.; and Lopez, Rene  Influence of ionic pretreatment on the performance of solid electrolyte dye-sensitized solar cells  Solar Energy, 86 (9), 2312-2317 (2012).  [DOI: 10.1016/j.solener.2012.05.002External link] [UNC EFRC]
3642.Chen, Zuofeng; and Meyer, Thomas J.  Copper(II) Catalysis of Water Oxidation  Angewandte Chemie International Edition, 52, 700-703 (2012).  [DOI: 10.1002/anie.201207215External link] [UNC EFRC]
3643.Chen, Z.; Concepcion, Javier J; Brennaman, M. Kyle; Kang, Peng; Norris, Michael R.; Hoertz, Paul G.; and Meyer, Thomas J.  Splitting CO2 into CO and O2 by a Single Catalyst  Proc. Nat. Acad. Sci. USA, 109(39), 15606-15611 (2012).  [DOI: 10.1073/pnas.1203122109External link] [UNC EFRC]
3644.Concepcion, Javier J.; House, Ralph L.; Papanikolas, John M.; and Meyer, Thomas J.  Chemical approaches to artificial photosynthesis  Proceedings of the National Academy of Sciences, 109 (39), 15560-15564 (2012).  [DOI: 10.1073/pnas.1212254109External link] [UNC EFRC]
3645.Cooper, Russell; Bartels, Christof; Kandratsenka, Alexander; Rahinov, Igor; Shenvi, Neil; Golibrzuch, Kai; Li, Zhisheng; Auerbach, Daniel J.; Tully, John C.; and Wodtke, Alec M.  Multiquantum Vibrational Excitation of NO Scattered from Au(111): Quantitative Comparison of Benchmark Data to Ab Initio Theories of Nonadiabatic Molecule–Surface Interactions  Angewandte Chemie International Edition, 51, 4954-4958 (2012).  [DOI: 10.1002/anie.201201168External link] [UNC EFRC]
3646.Dai, Gui-Ping; Wu, Marvin H.; Taylor, Darlene K.; Brennaman, M. Kyle; and Vinodgopal, K.  Hybrid 3D graphene and aligned carbon nanofiber array architectures  RSC Adv., 2, 8965-8968 (2012).  [DOI: 10.1039/C2RA21084CExternal link] [UNC EFRC]
3647.deKrafft, Kathryn E.; Wang, Cheng; Xie, Zhigang; Su, Xin; Hinds, Bruce J.; and Lin, Wenbin  Electrochemical Water Oxidation with Carbon-Grafted Iridium Complexes  ACS Appl. Mater. Interfaces, 4 (2), 608-613 (2012).  [DOI: 10.1021/am2018095External link] [UNC EFRC]
3648.Gagliardi, Christopher J.; Vannucci, Aaron K.; Concepcion, Javier J; Chen, Z.; and Meyer, Thomas J.  The role of proton coupled electron transfer in water oxidation  Energy Environ. Sci., 5, 7704-7717 (2012).  [DOI: 10.1039/C2EE03311AExternal link] [UNC EFRC]
3649.Gambardella, Alessa A.; Feldberg, Stephen W.; and Murray, Royce W.  Electron Transfer Dynamics of Iridium Oxide Nanoparticles Attached to Electrodes by Self-Assembled Monolayers  J. Amer. Chem. Soc., 134 (13), 5774-5777 (2012).  [DOI: 10.1021/ja301212rExternal link] [UNC EFRC]
3650.Giokas, Paul G.; Miller, Stephen A.; Hanson, Kenneth G.; Norris, Michael R.; Glasson, Christopher R. K.; Concepcion, Javier J.; Bettis, Stephanie E.; Meyer, Thomas J.; and Moran, Andrew M.  Spectroscopy and Dynamics of Phosphonate-Derivatized Ruthenium Complexes on TiO2  J. Phys. Chem. C, 117 (2), 812-824 (2012).  [DOI: 10.1021/jp310155qExternal link] [UNC EFRC]
3651.Hanson, Kenneth G.; Torelli, Daniel A.; Vannucci, Aaron K.; Brennaman, Kyle M; Luo, Hanlin; Alibabaei, Leila; Song, Wenjing; Ashford, Dennis L.; Norris, Michael R; Glasson, Christopher R. K.; Concepcion, Javier J; and Meyer, Thomas J.  Self-assembled Bilayer Films of Ru(II) Polypyridyl Complexes by Layer-by-Layer Deposition on Nanostructured Metal Oxides  Angew. Chem. Int. Ed., 51, 12782-12785 (2012).  [DOI: 10.1002/anie.201206882External link] [UNC EFRC]
3652.Hanson, Kenneth G.; Losego, Mark D.; Kalanyan, Berç; Ashford, Dennis L.; Parsons, Gregory N.; and Meyer, Thomas J.  Stabilization of [Ru(bpy)2(4,4’-(PO3H2)bpy)]2+ on Mesoporous TiO2 with Atomic Layer Deposition of Al2O3  Chem. Mater., 25 (1), 3-5 (2012).  [DOI: 10.1021/cm303172wExternal link] [UNC EFRC]
3653.Hanson, Kenneth G.; Ashford, Dennis L.; Concepcion, Javier J.; Binstead, Robert A.; Habibi, Sohrab; Luo, Hanlin; Glasson, Christopher R. K.; Templeton, Joseph L.; and Meyer, Thomas J.  Sensitized Photodecomposition of Organic Bisphosphonates By Singlet Oxygen  J. Am. Chem. Soc., 134, 16975-16978 (2012).  [DOI: 10.1021/ja307987gExternal link] [UNC EFRC]
3654.Hanson, Kenneth G.; Brennaman, M. Kyle; Ito, Akitaka; Luo, Hanlin; Song, Wenjing; Parker, Kelsey A.; Ghosh, Rudresh; Norris, Michael R.; Glasson, Christopher R. K.; Concepcion, Javier J.; Lopez, Rene; and Meyer, Thomas J.  Structure–Property Relationships in Phosphonate-Derivatized, RuII Polypyridyl Dyes on Metal Oxide Surfaces in an Aqueous Environment  J. Phys. Chem. C, 116, 14837-14847 (2012).  [DOI: 10.1021/jp304088dExternal link] [UNC EFRC]
3655.Hanson, Kenneth G.; Brennaman, Kyle M; Luo, Hanlin; Glasson, Christopher R. K.; Concepcion, Javier J; and Meyer, Thomas J.  Photostability of Phosphonate-Derivatized, RuII Polypyridyl Complexes on Metal Oxide Surfaces   ACS Appl. Mater. Interfaces, 4 (3), 1462-1469 (2012).  [DOI: 10.1021/am201717xExternal link] [UNC EFRC]
3656.Huang, Ying; Liu, Lianghong; and Liu, Shubin  Towards understanding proton affinity and gas-phase basicity with density functional reactivity theory  Chem. Phys. Lett., 527 (27), 73-78 (2012).  [DOI: 10.1016/j.cplett.2012.01.014External link] [UNC EFRC]
3657.Ito, Akitaka; Stewart, David J.; Fang, Zhen; Brennaman, M. Kyle; and Meyer, Thomas J.  Sensitization of ultra-long-range excited-state electron transfer by energy transfer in a polymerized film  Proceedings of the National Academy of Sciences, 109, 15132-15135 (2012).  [DOI: 10.1073/pnas.1213646109External link] [UNC EFRC]
3658.Jiang, Nan; Zuber, Gérard; Keinan, Shahar; Nayak, Animesh; Yang, Weitao; Therien, Michael J.; and Beratan, David N.  Design of Coupled Porphyrin Chromophores with Unusually Large Hyperpolarizabilities  J. Phys. Chem. C, 116, 9724-9733 (2012).  [DOI: 10.1021/jp2115065External link] [UNC EFRC]
3659.Jurss, Jonah W.; Concepcion, Javier J; Butler, Jennifer M.; Omberg, Kristin M.; Baraldo, Luis M.; Thompson, Darla Graff; Lebeau, Estelle L.; Hornstein, Brooks; Schoonover, Jon R.; Jude, Hershel; Thompson, Joe D.; Dattelbaum, Dana M.; Rocha, Reginaldo C.; Templeton, Joseph L.; and Meyer, Thomas J.  Electronic Structure of the Water Oxidation Catalyst cis,cis-[(bpy)2(H2O)RuIIIORuIII(OH2)(bpy)2]4+, The Blue Dimer  Inorg. Chem., 51 (3), 1345-1358 (2012).  [DOI: 10.1021/ic201521wExternal link] [UNC EFRC]
3660.Kang, Peng; Cheng, Chen; Chen, Zuofeng; Schauer, Cynthia; Meyer, Thomas J.; and Brookhart, Maurice  Selective Electrocatalytic Reduction of CO2 to Formate by Water-Stable Iridium Dihydride Pincer Complexes  J. Am. Chem. Soc., 134 (12), 5500-5503 (2012).  [DOI: 10.1021/ja300543sExternal link] [UNC EFRC]
3661.Kent, Caleb A.; Demin, Liu; Meyer, Thomas J; and Lin, Wenbin  Amplified Luminescence Quenching of Phosphorescent Metal-Organic Frameworks  J. Am. Chem Soc., , (2012).  [DOI: 10.1021/ja211271mExternal link] [UNC EFRC]
3662.Klukovich, Hope M.; Kean, Zachary S.; Ramirez, Ashley L. Black; Lenhardt, Jeremy M.; Lin, Jiaxing; Hu, Xiangqian; and Craig, Stephen L.  Tension Trapping of Carbonyl Ylides Facilitated by a Change in Polymer Backbone  J. Am. Chem. Soc., 134, 9577-9580 (2012).  [DOI: 10.1021/ja302996nExternal link] [UNC EFRC]
3663.Kumar, Neeraj; Liu, Shubin; and Kozlowski, Pawel M.  Charge Separation Propensity of the Coenzyme B12–Tyrosine Complex in Adenosylcobalamin-Dependent Methylmalonyl–CoA Mutase Enzyme  J. Phys. Chem. Lett., 3, 1035-1038 (2012).  [DOI: 10.1021/jz300102sExternal link] [UNC EFRC]
3664.Li, Z.; Park, T.H.; Rawson, J.; Therien, Michael J.; and Borguet, E.  Quasi-Ohmic Single Molecule Charge Transport through Highly Conjugated meso-to-meso Ethyne-Bridged Porphyrin Wires  Nano Lett., 12 (6), 2722-2727 (2012).  [DOI: 10.1021/nl2043216External link] [UNC EFRC]
3665.Lim, Emmanuel; Kuznetsov, Aleksey E.; and Beratan, David N.  Effects of S-containing ligands on the structure and electronic properties of CdnSen/CdnTen nanoparticles (n = 3, 4, 6, and 9)  Chemical Physics, 407, 97-109 (2012).  [DOI: 10.1016/j.chemphys.2012.09.005External link] [UNC EFRC]
3666.Lin, Xiangsong; Hu, Xiangqian; Concepcion, Javier J.; Chen, Zuofeng; Meyer, Thomas J.; and Yang, Weitao  Theoretical study of catalytic mechanism for single-site water oxidation process  Proceedings of the National Academy of Sciences, 109 (39), 15669-15672 (2012).  [DOI: 10.1073/pnas.1118344109External link] [UNC EFRC]
3667.Luo, Hanlin; Song, Wenjing; Hoertz, Paul G.; Hanson, Kenneth G.; Ghosh, Rudresh; Rangan, Sylvie; Brennaman, M. Kyle; Concepcion, Javier J.; Binstead, Robert A.; Bartynski, Robert Allen; Lopez, Rene; and Meyer, Thomas J.  A Sensitized Nb2O5 Photoanode for Hydrogen Production in a Dye-Sensitized Photoelectrosynthesis Cell  Chem. Mater., 25 (2), 122-131 (2012).  [DOI: 10.1021/cm3027972External link] [UNC EFRC]
3668.Moonshiram, Dooshaye; Jurss, Jonah W.; Concepcion, Javier J; Zakharova, Taisiya; Alperovich, Igor; Meyer, Thomas J.; and Pushkar, Yulia  Structure and Electronic Configurations of the Intermediates of Water Oxidation in Blue Ruthenium Dimer Catalysis  J. Am. Chem Soc., 134 (10), 4625-4636 (2012).  [DOI: 10.1021/ja208636fExternal link] [UNC EFRC]
3669.Puodziukynaite, Egle; Oberst, Justin L.; Dyer, Aubrey L.; and Reynolds, John R.  Establishing Dual Electrogenerated Chemiluminescence and Multi-Color Electrochromism in Functional Ionic Transition Metal Complexes  J. Amer. Chem. Soc., 134(2), 968-978 (2012).  [DOI: 10.1021/ja2065297External link] [UNC EFRC]
3670.Shenvi, Neil; and Yang, Weitao  Achieving partial decoherence in surface hopping through phase correction  The Journal of Chemical Physics, 137, 22A528-8 (2012).  [DOI: 10.1063/1.4746407External link] [UNC EFRC]
3671.Shenvi, Neil; and Tully, John C.  Nonadiabatic dynamics at metal surfaces: Independent electron surface hopping with phonon and electron thermostats  Faraday Discuss., 157, 325-335 (2012).  [DOI: 10.1039/C2FD20032EExternal link] [UNC EFRC]
3672.Song, Na; Gagliardi, Christopher J.; Binstead, Robert A.; Zhang, Ming-Tian; Thorp, Holden; and Meyer, Thomas J.  Role of Proton-Coupled Electron Transfer in the Redox Interconversion between Benzoquinone and Hydroquinone  J. Am. Chem. Soc., 134, 18538-18541 (2012).  [DOI: 10.1021/ja308700tExternal link] [UNC EFRC]
3673.Song, Wenjing; Chen, Zuofeng; Glasson, Christopher R. K.; Hanson, Kenneth G.; Luo, Hanlin; Norris, Michael R.; Ashford, Dennis L.; Concepcion, Javier J.; Brennaman, M. Kyle; and Meyer, Thomas J.  Interfacial Dynamics and Solar Fuel Formation in Dye-Sensitized Photoelectrosynthesis Cells  ChemPhysChem, 13, 2882-2890 (2012).  [DOI: 10.1002/cphc.201200100External link] [UNC EFRC]
3674.Stewart, David J.; Concepcion, Javier J.; Brennaman, M. Kyle; Binstead, Robert A.; and Meyer, Thomas J.  Accelerating slow excited state proton transfer  Proceedings of the National Academy of Sciences, 110 (3), 876-880 (2012).  [DOI: 10.1073/pnas.1220742110External link] [UNC EFRC]
3675.Sun, Yali; Chen, Zhuo; Puodziukynaite, Egle; Jenkins, Dustin M.; Reynolds, John R.; and Schanze, Kirk S.  Light Harvesting Arrays of Polypyridine Ruthenium(II) Chromophores Prepared by Reversible Addition–Fragmentation Chain Transfer Polymerization  Macromolecules, 45 (6), 2632-2642 (2012).  [DOI: 10.1021/ma202804uExternal link] [UNC EFRC]
3676.Vannucci, Aaron K.; Chen, Zuofeng; Concepcion, Javier J; and Meyer, Thomas J.  Nonaqueous Electrocatalytic Oxidation of the Alkylaromatic Ethylbenzene by a Surface Bound RuV(O) Catalyst  ACS Catal., 2, 716-719 (2012).  [DOI: 10.1021/cs300040mExternal link] [UNC EFRC]
3677.Vannucci, Aaron K.; Hull, Jonathan F; Chen, Zuofeng; Binstead, Robert A; Concepcion, Javier J; and Meyer, Thomas J.  Water Oxidation Intermediates Applied to Catalysis: Benzyl Alcohol Oxidation  J. Am. Chem Soc., 134 (9), 3972-3975 (2012).  [DOI: 10.1021/ja210718uExternal link] [UNC EFRC]
3678.Wang, Cheng; Wang, Jin-Liang; and Lin, Wenbin  Elucidating Molecular Iridium Water Oxidation Catalysts Using Metal–Organic Frameworks: A Comprehensive Structural, Catalytic, Spectroscopic, and Kinetic Study  J. Am. Chem. Soc., 134, 19895-19908 (2012).  [DOI: 10.1021/ja310074jExternal link] [UNC EFRC]
3679.Wang, Jin-Liang; Wang, Cheng; and Lin, Wenbin  Metal-Organic Frameworks for Light Harvesting and Photocatalysis  ACS Catal., 2 (12), 2630-2640 (2012).  [DOI: 10.1021/cs3005874External link] [UNC EFRC]
3680.Wang, L.; Puodziukynaite, Egle; Vary, Ryan P.; Grumstrup, Erik M.; Walczak, Ryan M.; Zolotarskaya, Olga Y.; Schanze, Kirk S.; Reynolds, John R.; and Papanikolas, John M.  Competition Between Ultrafast Energy Flow and Electron Transfer in a Ru(II)-Loaded Polyfluorene Light-Harvesting Polymer  J. Phys. Chem. Lett., 3(17), 2453-2457 (2012).  [DOI: 10.1021/jz300979jExternal link] [UNC EFRC]
3681.Wang, Cheng; Xie, Zhigang; deKrafft, Kathryn E.; and Lin, Wenbin  Light-Harvesting Cross-Linked Polymers for Efficient Heterogeneous Photocatalysis  ACS Appl. Mater. Interfaces, 4 (4), 2288-2294 (2012).  [DOI: 10.1021/am3003445External link] [UNC EFRC]
3682.Wang, Jin-Liang; Wang, Cheng; deKrafft, Kathryn E.; and Lin, Wenbin  Cross-linked Polymers with Exceptionally High Ru(bipy)32+ Loadings for Efficient Heterogeneous Photocatalysis  ACS Catal., 2 (3), 417-424 (2012).  [DOI: 10.1021/cs300027nExternal link] [UNC EFRC]
3683.Weinberg, David R.; Gagliardi, Christopher J.; Hull, Jonathan F.; Murphy, Christine Fecenko; Kent, Caleb A.; Westlake, Brittany C.; Paul, Amit; Ess, Daniel H.; McCafferty, Dewey Granville; and Meyer, Thomas J.  Proton-Coupled Electron Transfer  Chem. Rev., 112, 4016-4093 (2012).  [DOI: 10.1021/cr200177jExternal link] [UNC EFRC]
3684.Wilger, Dale J.; Bettis, Stephanie E.; Materese, Christopher K.; Minakova, Maria; Papanikolas, John M.; and Waters, Marcey L.  Tunable Energy Transfer Rates via Control of Primary, Secondary, and Tertiary Structure of a Coiled Coil Peptide Scaffold  Inorg. Chem., 51, 11324-11338 (2012).  [DOI: 10.1021/ic300669tExternal link] [UNC EFRC]
3685.Wu, Sangwook; Liu, Shubin; Sim, Sooyeon; and Pedersen, Lee G.  Weak Antiferromagnetic Coupling via a 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., 3, 2293-2297 (2012).  [DOI: 10.1021/jz300768gExternal link] [UNC EFRC]
3686.Zeng, Xiancheng; Hu, Xiangqian; and Yang, Weitao  Fragment-Based Quantum Mechanical/Molecular Mechanical Simulations of Thermodynamic and Kinetic Process of the Ru2+–Ru3+ Self-Exchange Electron Transfer  J. Chem. Theory Comput., 8 (12), 4960-4967 (2012).  [DOI: 10.1021/ct300758vExternal link] [UNC EFRC]
3687.Zhou, Panpan; Ayers, Paul W.; Liu, Shubin; and Li, Tonglei  Natural orbital Fukui function and application in understanding cycloaddition reaction mechanisms  Phys. Chem. Chem. Phys., 14, 9890-9896 (2012).  [DOI: 10.1039/C2CP40488EExternal link] [UNC EFRC]
3688.Alaboson, Justice M. P.; Wang, Qing Hua; Emery, Jonathan D.; Lipson, Albert L.; Bedzyk, Michael J.; Elam, Jeffrey W.; Pellin, Michael J.; and Hersam, Mark C.  Seeding Atomic Layer Deposition of High-k Dielectrics on Epitaxial Graphene with Organic Self-Assembled Monolayers  ACS Nano, 5, 5223-5232 (2011).  [DOI: 10.1021/nn201414dExternal link] [ANSER]
3689.Angamuthu, R.; Carroll, M.E.; Ramesh, M.; and Rauchfuss, Thomas B.  A New Route to Azadithiolato Complexes   European Journal of Inorganic Chemistry, 7, 1029-1032 (2011).  [DOI: 10.1002/ejic.201001208External link] [ANSER]
3690.Barin, G.; Coskun, A.; Friedman, D.C.; Olson, M.A.; Colvin, Michael T.; Carmielli, R.; and Dey, S.K.  A Multistate Switchable [3]Rotacatenane  Chemistry-A European Journal, 17, 213-222 (2011).  [DOI: 10.1002/chem.201002152External link] [ANSER]
3691.Blakemore, James D; Schley, Nathan D; Olack, G.; Incarvito, Christopher D; Brudvig, Gary W; and Crabtree, Robert H  Anodic Deposition of a Robust Iridium-Based Water-Oxidation Catalyst from Organometallic Precursors  Chem. Sci, 2, 94 - 98 (2011).  [DOI: 10.1039/c0sc00418aExternal link] [ANSER]
3692.Blankenship, Robert E.; Tiede, David M.; Barber, James; Brudvig, Gary W.; Fleming, Graham R.; Ghirardi, Maria; Gunner, M. R.; Junge, Wolfgang; Kramer, David M.; Melis, Anastasios; Moore, Thomas A.; Moser, Christopher C.; Nocera, Daniel G.; Nozik, Arthur J.; Ort, Donald R.; Parson, William W.; Prince, Roger C.; and Sayre, Richard T.  Comparing Photosynthetic and Photovoltaic Efficiencies and Recognizing the Potential for Improvement  Science, 332, 805-809 (2011).  [DOI: 10.1126/science.1200165External link] [ANSER]
3693.Brewster, Timothy P; Blakemore, James D; Schley, Nathan D; Incarvito, Christopher D; Hazari, Nilay; Brudvig, Gary W; and Crabtree, Robert H  An Iridium(IV) Species, [Cp*Ir(NHC)Cl]+, Related to a Water-Oxidation Catalyst   Organometallics, 30, 965-973 (2011).  [DOI: 10.1021/om101016sExternal link] [ANSER]
3694.Coskun, A.; Spruell, J. M.; Barin, G.; Fahrenbach, A. C.; Forgan, R. S.; Colvin, M. T.; Carmieli, R.; Benitez, Diego; Tkatchouk, Ekaterina; Friedman, D. C.; Sarjeant, A. A.; Wasielewski, M. R.; Goddard, William A; and Stoddart, J. F.  Mechanically Stabilized Tetrathiafulvalene Radical Dimers  J. Am. Chem. Soc., 133, 4538-4547 (2011).  [DOI: 10.1021/Ja110584cExternal link] [ANSER]
3695.Crabtree, Robert H  Multifunctional Ligands in Transition Metal Catalysis (invited 'Focus' article),   New J Chem, 35, 18-23 (2011).  [DOI: 10.1039/C0NJ00776EExternal link] [ANSER]
3696.Crabtree, Robert H  An Organometallic Future in Green and Energy Chemistry?  Organometallics, 30, 17-19 (2011).  [DOI: 10.1021/om1009439External link] [ANSER]
3697.Elam, J. W.; Prinz, F. B.; and Dasgupta, N. P.  ALD for clean energy conversion, utilization, and storage  Materials Research Society, 36, 899-906 (2011).  [DOI: 10.1557/mrs.2011.265External link] [ANSER]
3698.Giebink, Noel C; Wiederrecht, Gary P.; and Wasielewski, Michael R  Strong exciton-photon coupling with colloidal quantum dots in a high-Q bilayer microcavity  APPLIED PHYSICS LETTERS, 98, 081103 (2011).  [DOI: 10.1063/1.3558731External link] [ANSER]
3699.Giebink, Noel C.; Wiederrecht, Gary P.; Wasielewski, Michael R.; and Forrest, Stephen R.  Thermodynamic Efficiency Limit of Excitonic Solar Cells  Physical Review B, 83, 195326/1-195326/6 (2011).  [DOI: 10.1103/PhysRevB.83.195326External link] [ANSER]
3700.Irwin, M.D.; Servaites, J.D.; Buchholz, B.D.; Leever, B.J.; Liu, J.; Emery, J.D.; Zhang, M.; Song, J.H.; Durstock, M.F.; Freeman, Arthur J.; Bedzyk, M.J.; Hersam, Mark C.; Chang, R.P.H.; Ratner, Mark A.; and Marks, Tobin J.  Structural and Electrical Functionality of NiO Interfacial Films in Bulk Heterojunction Organic Solar Cells  Chemistry of Materials, 23, 2218-2224 (2011).  [DOI: 10.1021/cm200229eExternal link] [ANSER]
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