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 June 30, 2015.

4001.Yu, Liping; and Zunger, Alex  Identification of Potential Photovoltaic Absorbers Based on First-Principles  Physical Review Letters, 108, 068701 (2012).  [DOI: 10.1103/PhysRevLett.108.068701External link] [CID]
4002.Zakutayev, Andriy; Paudel, Tula; Ndione, Paul F.; Perkins, John D.; Lany, Stephan; Zunger, Alex; and Ginley, David S.  Cation off-stoichiometry leads to high p-type conductivity and enhanced transparency  Phys. Rev. B, 85, 085204 (2012).  [DOI: 10.1103/PhysRevB.85.085204External link] [CID]
4003.Zhang, Xiuwen; Stevanovic, Vladan; dAvezac, Mayeul ; Lany, Stephan; and Zunger, Alex  Prediction of A2BX4 metal-chalcogenide compounds via first-principles thermodynamics  Phys. Rev. B, 86, 014109 (2012).  [DOI: 10.1103/PhysRevB.86.014109External link] [CID]
4004.Zhang, Xiuwen; Yu, Liping; Zakutayev, Andriy; and Zunger, Alex  Sorting Stable versus Unstable Hypothetical Compounds: The Case of Multi-Functional ABX Half-Heusler Filled Tetrahedral Structures  Advanced Functional Materials, 22, 1425-1435 (2012).  [DOI: 10.1002/adfm.201102546External link] [CID]
4005.Zhang, Lijun; dAvezac, Mayeul ; Luo, Jun-Wei; and Zunger, Alex  Genomic Design of Strong Direct-Gap Optical Transition in Si/Ge Core/Multishell Nanowires  Nano Letters, 12, 984 (2012).  [DOI: 10.1021/nl2040892External link] [CID]
4006.Cheun, Hyeunseok; Fuentes-Hernandez, Canek; Shim, Jae Won; Fang, Yunnan; Cai, Ye; Li, Hong; Sigdel, Ajaya K.; Meyer, Jens; Maibach, Julia; Dindar, Amir; Zhou, Yinhua; Berry, Joseph J.; Brédas, Jean-Luc; Kahn, Antoine; Sandhage, Kenneth H.; and Kippelen, Bernard  Oriented Growth of Al2O3:ZnO Nanolaminates for Use as Electron-Selective Electrodes in Inverted Polymer Solar Cells  Adv. Funct. Mater., 22(7), 1531–1538 (2012).  [DOI: 10.1002/adfm.201102968External link] [CISSEM]
4007.Doubina, Natalia; Jenkins, Judith L; Paniagua, Sergio A.; Mazzio, Katherine A.; MacDonald, Gordon A.; Jen, Alex K. Y.; Armstrong, Neal R.; Marder, Seth R.; and Luscombe, Christine K.  Surface-Initiated Synthesis of Poly(3-methylthiophene) from Indium Tin Oxide and its Electrochemical Properties  Langmuir, 28 (3), 1900–1908 (2012).  [DOI: 10.1021/la204117uExternal link] [CISSEM]
4008.Garcia, Andres; Welch, Gregory C; Ratcliff, Erin L.; Ginley, David S.; Bazan, Guillermo C.; and Olson, Dana C.  Improvement of Interfacial Contacts for New Small-Molecule Bulk-Heterojunction Organic Photovoltaics  Adv. Mater., 24(39), 5368–5373 (2012).  [DOI: 10.1002/adma.201200963External link] [CISSEM]
4009.Giridharagopal, Rajiv; Rayermann, Glennis Elizabeth; Shao, Guozheng; Moore, David T.; Reid, Obadiah George; Tillack, Andreas Frank; Masiello, David J.; and Ginger, David S.  Sub-Microsecond Time Resolution Atomic Force Microscopy for Probing Nanoscale Dynamics  Nano Lett., 12 (2), 893–898 (2012).  [DOI: 10.1021/nl203956qExternal link] [CISSEM]
4010.Hammond, Scott R.; Meyer, Jens; Widjonarko, N. Edwin; Ndione, Paul F.; Sigdel, Ajaya K.; Garcia, Andres; Miedaner, Alexander; Lloyd, Matthew T.; Kahn, Antoine; Ginley, David S.; Berry, Joseph J.; and Olson, Dana C.  Low-temperature, solution-processed molybdenum oxide hole-collection layer for organic photovoltaics  J. Mater. Chem., 22(7), 3249-3254 (2012).  [DOI: 10.1039/C2JM14911GExternal link] [CISSEM]
4011.Hotchkiss, Peter J.; Jones, Simon C.; Paniagua, Sergio A.; Sharma, Asha; Kippelen, Bernard; Armstrong, Neal R.; and Marder, Seth R.  The Modification of Indium Tin Oxide with Phosphonic Acids: Mechanism of Binding, Tuning of Surface Properties, and Potential for Use in Organic Electronic Applications  Acc. Chem. Res., 45(3), 337–346 (2012).  [DOI: 10.1021/ar200119gExternal link] [CISSEM]
4012.Kim, Yongjin; Kim, Hyungchul; Graham, Samuel; Dyer, Aubrey L.; and Reynolds, John R.  Durable polyisobutylene edge sealants for organic electronics and electrochemical devices  Sol. Energy Mater. Sol. Cells, 100, 120–125 (2012).  [DOI: 10.1016/j.solmat.2011.12.012External link] [CISSEM]
4013.Knesting, Kristina M.; Hotchkiss, Peter J.; MacLeod, Bradley A.; Marder, Seth R.; and Ginger, David S.  Spatially Modulating Interfacial Properties of Transparent Conductive Oxides: Patterning Work Function with Phosphonic Acid Self-Assembled Monolayers  Adv. Mater., 24 (5), 642–646 (2012).  [DOI: 10.1002/adma.201102321External link] [CISSEM]
4014.Li, Hong; Schirra, Laura K.; Shim, Jae Won; Cheun, Hyeunseok; Kippelen, Bernard; Monti, Oliver L.A.; and Brédas, Jean-Luc  Zinc Oxide as a Model Transparent Conducting Oxide: A Theoretical and Experimental Study of the Impact of Hydroxylation, Vacancies, Interstitials, and Extrinsic Doping on the Electronic Properties of the Polar ZnO (0002) Surface  Chem. Mater., 24(15), 3044–3055 (2012).  [DOI: 10.1021/cm301596xExternal link] [CISSEM]
4015.Lin, Hsiao-Chu; Polaske, Nathan W.; Oquendo, Luis E.; Gliboff, Matthew; Knesting, Kristina M.; Nordlund, Dennis; Ginger, David S.; Ratcliff, Erin L.; Beam, Brooke M.; Armstrong, Neal R.; McGrath, Dominic V.; and Saavedra, S. Scott  Electron-Transfer Processes in Zinc Phthalocyanine–Phosphonic Acid Monolayers on ITO: Characterization of Orientation and Charge-Transfer Kinetics by Waveguide Spectroelectrochemistry  J. Phys. Chem. Lett., 3(9), 1154-1158 (2012).  [DOI: 10.1021/jz3002426External link] [CISSEM]
4016.MacDonald, Gordon A.; Veneman, P. Alex; Placencia, Diogenes; and Armstrong, Neal R.  Electrical Property Heterogeneity At Transparent Conductive Oxide/Organic Semiconductor Interfaces: Mapping Contact Ohmicity Using Conducting-Tip Atomic Force Microscopy  ACS Nano, 6(11), 9623–9636 (2012).  [DOI: 10.1021/nn303043yExternal link] [CISSEM]
4017.MacLeod, Bradley A.; Horwitz, Noah Elliott; Ratcliff, Erin L.; Jenkins, Judith L; Armstrong, Neal R.; Giordano, Anthony J.; Hotchkiss, Peter J.; Marder, Seth R.; Campbell, Charles T.; and Ginger, David S.  Built-in Potential in Conjugated Polymer Diodes with Changing Anode Work Function: Interfacial States and Deviation from the Schottky-Mott Limit  J. Phys. Chem. Lett., 3(9), 1202–1207 (2012).  [DOI: 10.1021/jz300283hExternal link] [CISSEM]
4018.Matz, Dallas L.; Schalnat, Matthew C.; and Pemberton, Jeanne E.  Reaction of Thin Films of Solid-State Benzene and Pyridine with Calcium  J. Am. Chem. Soc., 134(31), 12989–12997 (2012).  [DOI: 10.1021/ja3016186External link] [CISSEM]
4019.Matz, Dallas L.; and Pemberton, Jeanne E.  Reaction Chemistry of Solid-State Pyridine Thin Films with Vapor Deposited Ag, Mg, and Al  J. Phys. Chem. C, 116(21), 11548–11555 (2012).  [DOI: 10.1021/jp300795cExternal link] [CISSEM]
4020.Monti, Oliver L.A.  Understanding Interfacial Electronic Structure and Charge Transfer: An Electrostatic Perspective  J. Phys. Chem. Lett., 3(17), 2342–2351 (2012).  [DOI: 10.1021/jz300850xExternal link] [CISSEM]
4021.Ratcliff, Erin L.; Sigdel, Ajaya K.; Macech, Mariola R.; Nebesny, Kenneth; Lee, Paul A.; Ginley, David S.; Armstrong, Neal R.; and Berry, Joseph J.  Surface composition, work function, and electrochemical characteristics of gallium-doped zinc oxide  Thin Solid Films, 520(17), 5652–5663 (2012).  [DOI: 10.1016/j.tsf.2012.04.038External link] [CISSEM]
4022.Ratcliff, Erin L.; Meyer, Jens; Steirer, K. Xerxes; Armstrong, Neal R.; Olson, Dana C.; and Kahn, Antoine  Energy level alignment in PCDTBT:PC70BM solar cells: Solution processed NiOx for improved hole collection and efficiency  Org. Electron., 13(5), 744–749 (2012).  [DOI: 10.1016/j.orgel.2012.01.022External link] [CISSEM]
4023.Shahin, Shiva; Gangopadhyay, Palash; and Norwood, Robert A.  Ultrathin organic bulk heterojunction solar cells: Plasmon enhanced performance using Au nanoparticles  Appl. Phys. Lett., 101(5), 053109 (2012).  [DOI: 10.1063/1.4739519External link] [CISSEM]
4024.Sherpa, Sonam D.; Paniagua, Sergio A.; Levitin, Galit; Marder, Seth R.; Williams, M. D.; and Hess, Dennis W.  Photoelectron spectroscopy studies of plasma-fluorinated epitaxial graphene  J. Vac. Sci. Technol. B, 30(3), 03D102 (2012).  [DOI: 10.1116/1.3688760External link] [CISSEM]
4025.Shim, Jae Won; Zhou, Yinhua; Fuentes-Hernandez, Canek; Dindar, Amir; Guan, Ze-Lei; Cheun, Hyeunseok; Kahn, Antoine; and Kippelen, Bernard  Studies of the optimization of recombination layers for inverted tandem polymer solar cells  Solar Energy Materials and Solar Cells, 107, 51-55 (2012).  [DOI: 10.1016/j.solmat.2012.08.004External link] [CISSEM]
4026.Shim, Jae Won; Cheun, Hyeunseok; Meyer, Jens; Fuentes-Hernandez, Canek; Dindar, Amir; Zhou, Yinhua; Hwang, Do Kyung; Kahn, Antoine; and Kippelen, Bernard  Polyvinylpyrrolidone-modified indium tin oxide as an electron-collecting electrode for inverted polymer solar cells  Appl. Phys. Lett., 101(7), 073303 (2012).  [DOI: 10.1063/1.4745772External link] [CISSEM]
4027.Sigdel, Ajaya K.; Ndione, Paul F.; Perkins, John D.; Gennett, Thomas; van Hest, Maikel F.A.M.; Shaheen, Sean E.; Ginley, David S.; and Berry, Joseph J.  Radio-frequency superimposed direct current magnetron sputtered Ga:ZnO transparent conducting thin films  J. Appl. Phys., 111(9), 093718 (2012).  [DOI: 10.1063/1.4709753External link] [CISSEM]
4028.Widjonarko, N. Edwin; Ratcliff, Erin L.; Perkins, Craig L.; Sigdel, Ajaya K.; Zakutayev, Andriy; Ndione, Paul F.; Gillaspie, Dane T; Ginley, David S.; Olson, Dana C.; and Berry, Joseph J.  Sputtered nickel oxide thin film for efficient hole transport layer in polymer-fullerene bulk-heterojunction organic solar cell  Thin Solid Films, 520(10), 3813-3818 (2012).  [DOI: 10.1016/j.tsf.2011.10.059External link] [CISSEM]
4029.Wood, Christopher; Li, Hong; Winget, Paul; and Brédas, Jean-Luc  Binding Modes of Fluorinated Benzylphosphonic Acids on the Polar ZnO Surface and Impact on Work Function  J. Phys. Chem. C, 116(36), 19125–19133 (2012).  [DOI: 10.1021/jp3050725External link] [CISSEM]
4030.Yuan, Mingjian; Okamoto, Ken; Bronstein, Hugo A.; and Luscombe, Christine K.  Constructing Regioregular Star Poly(3-hexylthiophene) via Externally Initiated Kumada Catalyst-Transfer Polycondensation  ACS Macro Lett., 1(3), 392–395 (2012).  [DOI: 10.1021/mz3000368External link] [CISSEM]
4031.Zhou, Yinhua; Fuentes-Hernandez, Canek; Shim, Jae Won; Kahn, Talha Mansur; and Kippelen, Bernard  High performance polymeric charge recombination layer for organic tandem solar cells  Energy Environ. Sci., 5(12), 9827-9832 (2012).  [DOI: 10.1039/C2EE23294DExternal link] [CISSEM]
4032.Zhou, Yinhua; Shim, Jae Won; Fuentes-Hernandez, Canek; Sharma, Asha; Knauer, Keith A.; Giordano, Anthony J.; Marder, Seth R.; and Kippelen, Bernard  Direct correlation between work function of indium-tin-oxide electrodes and solar cell performance influenced by ultraviolet irradiation and air exposure  Phys. Chem. Chem. Phys., 14(34), 12014-12021 (2012).  [DOI: 10.1039/C2CP42448GExternal link] [CISSEM]
4033.Zhou, Yinhua; Fuentes-Hernandez, Canek; Shim, Jae Won; Meyer, Jens; Giordano, Anthony J.; Li, Hong; Winget, Paul; Papadopoulos, Theodoros; Cheun, Hyeunseok; Kim, Jungbae; Fenoll, Mathieu; Dindar, Amir; Haske, Wojciech; Najafabadi, Ehsan; Kahn, Talha Mansur; Sojoudi, Hossein; Barlow, Stephen; Graham, Samuel; Brédas, Jean-Luc; Marder, Seth R.; Kahn, Antoine; and Kippelen, Bernard  A Universal Method to Produce Low–Work Function Electrodes for Organic Electronics  Science, 336(6079), 327-332 (2012).  [DOI: 10.1126/science.1218829External link] [CISSEM]
4034.Barnette, Anna L; Lee, Christopher M; Bradley, Laura C; Schreiner, Edward P; Park, Yong Bum; Shin, H; Cosgrove, Daniel; Park, Sunkyu; and Kim, Seong H  Quantification of Crystalline Cellulose in Lignocellulosic Biomass Using Sum Frequency Generation (SFG) Vibration Spectroscopy and Comparison with Other Analytical Methods  Carbohydr. Polym., 89, 802-809 (2012).  [DOI: 10.1016/j.carbpol.2012.04.014External link] [CLSF]
4035.Baskin, Tobias I.; and Gu, Ying  Making parallel lines meet: Transferring information from microtubules to extracellular matrix  Cell Adh. Migr., 6(5), 1-5 (2012).  [DOI: 10.4161/cam.21121External link] [CLSF]
4036.Carroll, Andrew; Mansoori, N; Li, Shundai; Lei, Lei; Vernhettes, Samantha; Visser, Richard G. F.; Somerville, Chris R; Gu, Ying; and Trindade, Luisa M.  Complexes with mixed primary and secondary cellulose synthases are functional in Arabidopsis thaliana plants  Plant Physiol., 160, 726-737 (2012).  [DOI: 10.1104/pp.112.199208External link] [CLSF]
4037.Cheng, Gang; Datta, Supratim; Liu, Zelin; Wang, Chao; Murton, Jaclyn K; Brown, Page A; Jablin, Michael S; Dubey, Manish; Majewski, Jaroslaw; Halbert, Candice E; Browning, James F; Esker, Alan R; Watson, Brian J; Zhang, Haito; Hutcheson, Steven W; Huber, Dale L; Sale, Kenneth L; Simmons, Blake A; and Kent, Michael S  Interactions of Endoglucanases with Amorphous Cellulose Films Resolved by Neutron Reflectometry and Quartz Crystal Microbalance with Dissipation Monitoring  Langmuir, 28, 8348-8358 (2012).  [DOI: 10.1021/la300955qExternal link] [CLSF]
4038.Cosgrove, Daniel; and Jarvis, Michael C.  Comparative structure and biomechanics of plant primary and secondary cell walls  Front. Plant Sci., 3, 204 (1-6) (2012).  [DOI: 10.3389/fpls.2012.00204External link] [CLSF]
4039.Davis, Jonathan K.  Combining polysaccharide biosynthesis and transport in a single enzyme: dual-function cell wall glycan synthases  Front. Plant Sci., 3(138), (2012).  [DOI: 10.3389/fpls.2012.00138External link] [CLSF]
4040.Gu, Jin; and Catchmark, Jeffrey M  Impact of hemicelluloses and pectin on sphere-like bacterial cellulose assembly  Carbohydr. Polym., 88, 547-557 (2012).  [DOI: 10.1016/j.carbpol.2011.12.040External link] [CLSF]
4041.Kittle, Joshua D; Wang, Chao; Qian, Chen; Zhang, Yafen; Zhang, Mingqiang; Roman, Maren; Morris, John R; Moore, Robert B; and Esker, Alan R  Ultrathin Chitin Films for Nanocomposites and Biosensors  Biomacromolecules, 13, 714-718 (2012).  [DOI: 10.1021/bm201631rExternal link] [CLSF]
4042.Lei, Lei; Li, Shundai; and Gu, Ying  Cellulose synthase interactive protein 1 (CSI1) mediates the intimate relationship between cellulose microfibrils and cortical microtubules  Plant Signal. Behav., 7(7), 714-718 (2012).  [DOI: 10.4161/psb.20338External link] [CLSF]
4043.Lei, Lei; Li, Shundai; and Gu, Ying  Cellulose synthase complexes: composition and regulation  Front. Plant Physiol., 3, 75 (2012).  [DOI: 10.3389/fpls.2012.00075External link] [CLSF]
4044.Li, Shundai; and Gu, Ying  Cellulose biosynthesis in higher plants and the role of the cytoskeleton  eLS, , (2012).  [DOI: 10.1002/9780470015902.a0023745External link] [CLSF]
4045.Li, Shundai; Lei, Lei; Somerville, Chris R; and Gu, Ying  Cellulose synthase interactive protein 1 (CSI1) links microtubules and cellulose synthase  Proc. Natl. Acad. Sci. U. S. A., 109, 185-190 (2012).  [DOI: 10.1073/pnas.1118560109External link] [CLSF]
4046.Park, Yong Bum; and Cosgrove, Daniel  A Revised Architecture of Primary Cell Walls Based on Biomechanical Changes Induced by Substrate-Specific Endoglucanases  Plant Physiol., 158, 1933-1943 (2012).  [DOI: 10.1104/pp.111.192880External link] [CLSF]
4047.Park, Yong Bum; and Cosgrove, Daniel  Changes in Cell Wall Biomechanical Properties in the Xyloglucan-Deficient xxt1/xxt2Mutant of Arabidopsis  Plant Physiol., 158, 465-475 (2012).  [DOI: 10.1104/pp.111.189779External link] [CLSF]
4048.Roberts, Alison W.; Roberts, Eric M.; and Haigler, Candace H.  Moss cell walls: structure and biosynthesis  Front. Plant Sci., 3 (166), (2012).  [DOI: 10.3389/fpls.2012.00166External link] [CLSF]
4049.Wallace, Ian S.; and Anderson, Charles T.  Small molecule probes for plant cell wall polysaccharide imaging  Front. Plant Sci., 3 (89), 1-8 (2012).  [DOI: 10.3389/fpls.2012.00089External link] [CLSF]
4050.Watts, Heath D; Archibald, Douglas D.; Mohamed, Mohamed Naseer Ali; and Kubicki, James D  In search of OH–p interactions between 1-methylimidazole and water using a combined computational quantum chemistry and ATR-FTIR spectroscopy approach  J. Mol. Struct., 1026, 78-87 (2012).  [DOI: 10.1016/j.molstruc.2012.05.028External link] [CLSF]
4051.Yi, Hojae; and Puri, Virendra M.  Architecture-based multiscale computational modeling of plant cell wall mechanics to examine the hydrogen-bonding hypothesis of cell wall network structure model   Plant Physiol., 160, 1281-1292 (2012).  [DOI: 10.1104/pp.112.201228External link] [CLSF]
4052.Carver, Colin T; Matson, Benjamin D; and Mayer, James M  Electrocatalytic Oxygen Reduction by Iron Tetra-arylporphyrins Bearing Pendant Proton Relays  Journal of the American Chemical Society, 134, 5444-5447 (2012).  [DOI: 10.1021/ja211987fExternal link] [CME]
4053.Fernandez, Laura E; Horvath, Samantha; and Hammes-Schiffer, Sharon  Theoretical Analysis of the Sequential Proton-Coupled Electron Transfer Mechanisms for H2 Oxidation and Production Pathways Catalyzed by Nickel Molecular Electrocatalysts  The Journal of Physical Chemistry C, 116, 3171-3180 (2012).  [DOI: 10.1021/jp210690qExternal link] [CME]
4054.Gladysz, John A; Ball, Zachary T; Bertrand, Guy; Blum, Suzanne A; Dong, Vy M; Dorta, Reto; Hahn, F Ekkehardt; Humphrey, Mark G; Jones, William D; Klosin, Jerzy; Manners, Ian; Marks, Tobin J; Mayer, James M; Rieger, Bernhard; Ritter, Joachim C; Sattelberger, Alfred P; Schomaker, Jennifer M; and Yam, Vivian Wing-Wah  Organometallics Roundtable 2011  Organometallics, 31, 1-18 (2012).  [DOI: 10.1021/om201234xExternal link] [CME]
4055.Horvath, Samantha; Fernandez, Laura E; Soudackov, Alexander V; and Hammes-Schiffer, Sharon  Insights into proton-coupled electron transfer mechanisms of electrocatalytic H2 oxidation and production.  Proceedings of the National Academy of Sciences, 109, 15663-15668 (2012).  [DOI: 10.1073/pnas.1118333109External link] [CME]
4056.Jain, Avijita; Buchko, Garry W; Reback, Matthew L; O'Hagan, Molly J.; Ginovska-Pangovska, Bojana; Linehan, John C; and Shaw, Wendy J.  Active Hydrogenation Catalyst with a Structured, Peptide-Based Outer-Coordination Sphere  ACS Catalysis, 2, 2114-2118 (2012).  [DOI: 10.1021/cs3004177External link] [CME]
4057.Jain, Avijita; Reback, Matthew L; Lindstrom, Mary Lou; Thogerson, Colleen E; Helm, Monte L.; Appel, Aaron M.; and Shaw, Wendy J.  Investigating the Role of the Outer-Coordination Sphere in [Ni(PPh2NPh-R2)2]2+ Hydrogenase Mimics  Inorganic Chemistry, 51, 6592-6602 (2012).  [DOI: 10.1021/ic300149xExternal link] [CME]
4058.Lense, Sheri; Ho, Ming-Hsun; Chen, Shentan; Jain, Avijita; Raugei, Simone; Linehan, John C; Roberts, John A S; Appel, Aaron M.; and Shaw, Wendy J.  Incorporating Amino Acid Esters into Catalysts for Hydrogen Oxidation: Steric and Electronic Effects and the Role of Water as a Base  Organometallics, 31, 6719-6731 (2012).  [DOI: 10.1021/om300409yExternal link] [CME]
4059.Liu, Tianbiao; Chen, Shentan; O'Hagan, Molly J.; Rakowski DuBois, Mary; Bullock, R. Morris; and DuBois, Daniel L.  Synthesis, Characterization, and Reactivity of Fe Complexes Containing Cyclic Diazadiphosphine Ligands: the Role of the Pendant Base in Heterolytic Cleavage of H2.  Journal of the American Chemical Society, 134, 6257-6272 (2012).  [DOI: 10.1021/ja211193jExternal link] [CME]
4060.Matson, Benjamin D; Carver, Colin T; Von Ruden, Amber; Yang, Jenny Y; Raugei, Simone; and Mayer, James M  Distant protonated pyridine groups in water-soluble iron porphyrin electrocatalysts promote selective oxygen reduction to water  Chemical Communications, 48, 11100-11102 (2012).  [DOI: 10.1039/c2cc35576kExternal link] [CME]
4061.O'Hagan, Molly J.; Ho, Ming-Hsun; Yang, Jenny Y; Appel, Aaron M.; Rakowski DuBois, Mary; Raugei, Simone; Shaw, Wendy J.; DuBois, Daniel L.; and Bullock, R. Morris  Proton Delivery and Removal in [Ni(PR2NR'2)2]2+ Hydrogen Production and Oxidation Catalysts  Journal of the American Chemical Society, 134, 19409-19424 (2012).  [DOI: 10.1021/ja307413xExternal link] [CME]
4062.Pool, Douglas H; Stewart, Michael P; O'Hagan, Molly J.; Shaw, Wendy J.; Roberts, John A S; Bullock, R. Morris; and DuBois, Daniel L.  Acidic ionic liquid/water solution as both medium and proton source for electrocatalytic H2 evolution by [Ni(P2N2)2]2+ complexes.  Proceedings of the National Academy of Sciences, 109, 15634-15639 (2012).  [DOI: 10.1073/pnas.1120208109External link] [CME]
4063.Raugei, Simone; Chen, Shentan; Ho, Ming-Hsun; Ginovska-Pangovska, Bojana; Rousseau, Roger J; Dupuis, Michel; DuBois, Daniel L.; and Bullock, R. Morris  The Role of Pendant Amines in the Breaking and Forming of Molecular Hydrogen Catalyzed by Nickel Complexes  Chemistry: A European Journal, 18, 6493-6506 (2012).  [DOI: 10.1002/chem.201103346External link] [CME]
4064.Reback, Matthew L; Ginovska-Pangovska, Bojana; Ho, Ming-Hsun; Jain, Avijita; Squier, Thomas C; Raugei, Simone; Roberts, John A S; and Shaw, Wendy J.  The Role of a Dipeptide Outer-Coordination Sphere on H2-Production Catalysts: Influence on Catalytic Rates and Electron Transfer  Chemistry: A European Journal, 19, 1928-1941 (2012).  [DOI: 10.1002/chem.201202849External link] [CME]
4065.Smieja, Jonathan M; Benson, Eric E; Kumar, Bhupendra; Grice, Kyle A; Seu, Candace S; Miller, Alexander J M; Mayer, James M; and Kubiak, Clifford P  Kinetic and structural studies, origins of selectivity, and interfacial charge transfer in the artificial photosynthesis of CO  Proceedings of the National Academy of Sciences, 109, 15646-15650 (2012).  [DOI: 10.1073/pnas.1119863109External link] [CME]
4066.Smith, Stuart E; Yang, Jenny Y; DuBois, Daniel L.; and Bullock, R. Morris  Reversible electrocatalytic production and oxidation of hydrogen at low overpotentials by a functional hydrogenase mimic.  Angewandte Chemie (International Edition), 51, 3152-3155 (2012).  [DOI: 10.1002/anie.201108461External link] [CME]
4067.Tronic, Tristan A; Kaminsky, Werner; Coggins, Michael K; and Mayer, James M  Synthesis, Protonation, and Reduction of Ruthenium–Peroxo Complexes with Pendent Nitrogen Bases  Inorganic Chemistry, 51, 10916-10928 (2012).  [DOI: 10.1021/ic3013987External link] [CME]
4068.Waidmann, Christopher R; Miller, Alexander J M; Ng, Cheuk-Wa Angela; Scheuermann, Margaret L; Porter, Thomas R; Tronic, Tristan A; and Mayer, James M  Using combinations of oxidants and bases as PCET reactants: thermochemical and practical considerations  Energy & Environmental Science, 5, 7771-7780 (2012).  [DOI: 10.1039/C2EE03300CExternal link] [CME]
4069.Weiss, Charles J; Groves, Amy N; Mock, Michael T; Dougherty, William G; Kassel, W Scott; Helm, Monte L.; DuBois, Daniel L.; and Bullock, R. Morris  Synthesis and reactivity of molybdenum and tungsten bis(dinitrogen) complexes supported by diphosphine chelates containing pendant amines  Dalton transactions (Cambridge, England : 2003), 41, 4517-4529 (2012).  [DOI: 10.1039/c2dt12224cExternal link] [CME]
4070.Wiedner, Eric S; Yang, Jenny Y; Chen, Shentan; Raugei, Simone; Dougherty, William G; Kassel, W Scott; Helm, Monte L.; Bullock, R. Morris; Rakowski DuBois, Mary; and DuBois, Daniel L.  Stabilization of Nickel Complexes with Ni0···H–N Bonding Interactions Using Sterically Demanding Cyclic Diphosphine Ligands  Organometallics, 31, 144-156 (2012).  [DOI: 10.1021/om200709zExternal link] [CME]
4071.Wiese, Stefan; Kilgore, Uriah J; DuBois, Daniel L.; and Bullock, R. Morris  [Ni(PMe2NPh2)2](BF4)2 as an Electrocatalyst for H2 Production  ACS Catalysis, 2, 720-727 (2012).  [DOI: 10.1021/cs300019hExternal link] [CME]
4072.AshKenazy, Y.; Vo, N.; Schwen, D.; Averback, R. S.; and Bellon, P.  Shear induced chemical mixing in heterogeneous systems  Acta Materialia, 60, 984-993 (2012).  [DOI:External link] [CMIME]
4073.Bai, X. M.; Vernon, L J; Hoagland, R. G.; Voter, A. F.; Nastasi, Michael; and Uberuaga, B. P.  The role of atomic structure on grain boundary-defect interactions in Cu  Phys. Rev. B, 85, 214103 (2012).  [DOI: 10.1103/PhysRevB.85.214103External link] [CMIME]
4074.Bai, X. M.; and Uberuaga, B. P.  Multi-Time Scale Investigation of Radiation Damage near TiO2 Rutile Grain Boundaries  Philos. Mag., 92, 1469 (2012).  [DOI:External link] [CMIME]
4075.Beyerlein, I J; Mara, N A; Wang, J.; Carpenter, J S; Zheng, S J; Han, W Z; Zhang, R F; Kang, K.; Nizolek, T; and Pollock, T M  Structure-Property-Functionality of Bimetal Interfaces  JOM, 64, 1192-1207 (2012).  [DOI:External link] [CMIME]
4076.Bhattacharyya, D; Demkowicz, M J; Wang, Y. -Q.; Nastasi, Michael; and Misra, A  A transmission electron microscopy study of the effect of interfaces on bubble formation in He-implanted nano-scale Cu-Nb multilayers  Microscopy and Microanalysis, 18, 152-161 (2012).  [DOI:External link] [CMIME]
4077.Bringa, E M; Monk, J D; Caro, Jose Alfredo; Misra, A; Zepeda-Ruiz, L; Duchaineau, M; Abraham, F; Nastasi, Michael; Picraux, S T; Wang, Y. -Q.; and Farkas, D  Are nanoporous materials radiation resistant?  Nano Lett., 12, 3351-55 (2012).  [DOI:External link] [CMIME]
4078.Carpenter, J S; Liu, X; Darbal, A; Vogel, S. C.; LeDonne, J. E.; Nuhfer, N. T.; Rollett, A. D.; Barmack, K.; Beyerlein, I J; and Mara, N A  A comparison of texture results obtained using neutron and ASTAR methods at diminishing length scales in ordered metallic nanolamellar composites  Scripta Materialia, 67, 336-339 (2012).  [DOI:External link] [CMIME]
4079.Cerreta, Ellen K.; Escobedo, J. P.; Perez-Bergquist, A.; Koller, D. D.; Trujillo, Carl P.; Gray III, G. T.; Brandl, C.; and Germann, T. C.  Early Stage Dynamic Damage and the Role of Grain Boundary Type  Scripta Materialia, 66, 638-41 (2012).  [DOI:External link] [CMIME]
4080.Correa, A. A.; Kohanoff, J.; Artacho, E.; Portal, D. S.; and Caro, J. A.  Nonadiabatic Forces in Ion-solid Interactions: The Initial Stages of Radiation Damage  Physical Review Letters, 108, 213201 (2012).  [DOI:External link] [CMIME]
4081.Demkowicz, M J; Misra, AMit; and Caro, Jose Alfredo  The role of interface structure in controlling high helium concentrations  Current Opinion in Solid State and Materials Science, 16, 101-108 (2012).  [DOI:External link] [CMIME]
4082.Fensin, S J; Valone, S M; Cerreta, E K; and Gray III, G. T.  Influence of Grain Boundary Properties on Spall Strength: Grain Boundary Energy and Excess Volume  Journal of Applied Physics, 112, 083529 (2012).  [DOI:External link] [CMIME]
4083.Fu, E G; Caro, M; Zepeda-Ruiz, L; Wang, Y. -Q.; Baldwin, J K; Bringa, E M; Nastasi, Michael; and Caro, Jose Alfredo  Surface effects on the radiation response of nanoporous Au foams  Applied Physics Letters, 101, 191607 (2012).  [DOI:External link] [CMIME]
4084.Fu, E G; Wang, Y. -Q.; Zou, G F; Xiong, J; Zhuo, M J; Wei, Q; Baldwin, J K; Jia, Q X; Misra, A; and Nastasi, Michael  Irradiation induced changes in small angle grain boundaries in mosaic Cu thin films  Appl. Phys. A, 108, 121-6 (2012).  [DOI:External link] [CMIME]
4085.Han, W Z; Demkowicz, M J; Fu, E G; Wang, Y. -Q.; and Misra, A  Effect of grain boundary characters on sink efficiency  Acta Materialia, 60, 6341-51 (2012).  [DOI: 10.1016/j.actamat.2012.08.009External link] [CMIME]
4086.Han, W Z; Carpenter, J S; Wang, J.; Beyerlein, I J; and Mara, N A  Atomic-level study of twin nucleation from fcc/bcc interfaces in nanolamellar composites,  Appl. Phys. Lett., 100, 011911 (2012).  [DOI:External link] [CMIME]
4087.Hetherly, J; Martinez, E; Di, Z F; Nastasi, Michael; and Caro, Jose Alfredo  Mechanism of helium bubble precipitation in fcc twist boundaries  Scripta Materialia, 66, 17-20 (2012).  [DOI:External link] [CMIME]
4088.Kang, K.; Wang, J.; Zheng, S J; and Beyerlein, I J  Minimum energy structures of faceted, incoherent interfaces  Journal of Applied Physics, 112, 073501 (2012).  [DOI:External link] [CMIME]
4089.Kang, K.; Wang, J.; and Beyerlein, I J  Atomic structure variations of mechanically stable interfaces  Journal of Applied Physics, 111, 053531 (2012).  [DOI:External link] [CMIME]
4090.Karakuscu, A; Cologna, M; Yarotski, D; Won, J; Raj, R; and Uberuaga, B. P.  Defect structure of flash sintered Strontium Titanate  Journal of the American Ceramic Society, 95, 2531-36 (2012).  [DOI:External link] [CMIME]
4091.Kolluri, K; and Demkowicz, M J  Formation, migration, and clustering of delocalized vacancies and interstitials at a solid-state semicoherent interface  Phys. Rev. B, 85, 205416 (2012).  [DOI:External link] [CMIME]
4092.Lee, S. B.; LeDonne, J. E.; Lim, S. C.V.; Beyerlein, I J; and Rollett, A. D.  The five-parameter Heterophase Interface Character Distribution (HICD) of physical vapor-deposited and accumulative roll-bonded Cu-Nb multilayer composites  Acta Materialia, 60, 1747-61 (2012).  [DOI:External link] [CMIME]
4093.Li, Nan; Misra, A; and Nastasi, Michael  Defect structures and hardening mechanisms in high dose helium ion implanted Cu and Cu/Nb multilayer thin films  International Journal of Plasticity, 32-33, 1-16 (2012).  [DOI:External link] [CMIME]
4094.Liu, X. -Y.; Hoagland, R. G.; Demkowicz, M J; Nastasi, Michael; and Misra, A  The Influence of Lattice Mismatch on the Atomic Structures and Defect Energetics of fcc-bcc Interfaces  Journal of Engineering Materials and Technology, 134, 021012 (2012).  [DOI:External link] [CMIME]
4095.Liu, X. -Y.; Uberuaga, B. P.; Demkowicz, M J; Germann, T. C.; Misra, A; and Nastasi, Michael  Mechanism for recombination of radiation-induced point defects at interphase boundaries  Phys. Rev. B, 85, 012103 (2012).  [DOI:External link] [CMIME]
4096.Mara, N A; Beyerlein, I J; Carpenter, J S; and Wang, J.  Interfacially driven deformation twinning in bulk Cu-Ag composites  JOM, 64, 1218-26 (2012).  [DOI:External link] [CMIME]
4097.Martinez, E; and Caro, Jose Alfredo  Atomistic modeling of long-term evolution of twist boundaries under vacancy supersaturation  Phys. Rev. B, 86, 214109 (2012).  [DOI:External link] [CMIME]
4098.Martinez, E; Senninger, O.; Fu, C -C.; and Soisson, F.  Decomposition kinetics of Fe-Cr solid solutions during thermal ageing  Phys. Rev. B, 86, 224109 (2012).  [DOI:External link] [CMIME]
4099.Martinez, E; Hirth, John P.; Nastasi, Michael; and Caro, Jose Alfredo  Structure of a 2-degree (010) FCC Twist Boundary Interface in Cu and the Segregation of Vacancies and Helium Atoms  Phys. Rev. B, 85, 060101 (2012).  [DOI:External link] [CMIME]
4100.Perez-Bergquist, A.; Cerreta, Ellen K.; Trujillo, Carl P.; Gray III, G. T.; Brandl, C.; and Germann, T. C.  TEM Study of the Role of Interface Structure at 100/111 Boundaries in a Shocked Cu Multicrystal  Scripta Materialia, 67, 412-415 (2012).  [DOI:External link] [CMIME]
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