Publications

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.

4201.Lu, Weigang; Yuan, Daqiang; Sculley, Julian; Zhao, Dan; Krishna, Rajamani; and Zhou, Hong-Cai  Sulfonate-Grafted Porous Polymer Networks for Preferential CO2 Adsorption at Low Pressure  J. Am. Chem. Soc., 133, 18126–18129 (2011).  [DOI: 10.1021/ja2087773External link] [CGS]
4202.Lu, Weigang; Yuan, Daqiang; Yakovenko, Andrey A; and Zhou, Hong-Cai  Surface functionalization of metal-organic polyhedron for homogeneous cyclopropanation catalysis   Chem. Commun., 47, 4968-4970 (2011).  [DOI: 10.1039/c1cc00030fExternal link] [CGS]
4203.Makal, Trevor A; Yakovenko, Andrey A; and Zhou, Hong-Cai  Isomerism in Metal-Organic Frameworks: "Framework Isomers"  J. Phys. Chem. Lett., 2, 1682-1689 (2011).  [DOI: 10.1021/jz200424hExternal link] [CGS]
4204.McDonald, Thomas M; D'Alessandro, Deanna M; Krishna, Rajamani; and Long, Jeffrey R  Enhanced carbon dioxide capture upon incorporation of N,N′-dimethylethylenediamine in the metal–organic framework CuBTTri  Chem. Sci., 2, 2022-2028 (2011).  [DOI: 10.1039/C1SC00354BExternal link] [CGS]
4205.Mezger, Markus; Jerome, Blandine; Kortright, Jeffrey B; Valvidares, Manuel; Gullikson, Eric M; Giglia, Angelo; Mahne, Nicola; and Nannarone, Stefano  Molecular orientation in soft matter thin films studied by resonant soft x-ray reflectivity  Phys. Rev. B, 83, 155406 (2011).  [DOI: 10.1103/PhysRevB.83.155406External link] [CGS]
4206.Xu, Ting; Zhao, Nana; Ren, Feng; Hourani, Rami; Lee, Ming Tsang; Shu, Jessica Y; Mao, Samuel; and Helms, Brett A  Subnanometer Porous Thin Films by the Co-assembly of Nanotube Subunits and Block Copolymers  ACS Nano, 5, 1376-1384 (2011).  [DOI: 10.1021/nn103083tExternal link] [CGS]
4207.Yuan, Daqiang; Zhao, Dan; and Zhou, Hong-Cai  Pressure-Responsive Curvature Change of a “Rigid” Geodesic Ligand in a (3,24)-Connected Mesoporous Metal-Organic Framework  Inorg. Chem., 50, 10528-10530 (2011).  [DOI: 10.1021/ic201744nExternal link] [CGS]
4208.Yuan, Daqiang; Lu, Weigang; Zhao, Dan; and Zhou, Hong-Cai  Highly Stable Porous Polymer Networks with Exceptionally High Gas-Uptake Capacities  Adv. Mater., 23, 3723-3725 (2011).  [DOI: 10.1002/adma.201101759External link] [CGS]
4209.Yuan, Daqiang; Zhao, Dan; Timmons, Daren J; and Zhou, Hong-Cai  A stepwise transition from microporosity to mesoporosity in metal-organic frameworks by thermal treatment  Chem. Sci., 2, 103-106 (2011).  [DOI: 10.1039/c0sc00320dExternal link] [CGS]
4210.Zhao, Dan; Timmons, Daren J; Yuan, Daqiang; and Zhou, Hong-Cai  Tuning the Topology and Functionality of Metal-Organic Frameworks by Ligand Design  Acc. Chem. Res., 44, 123-133 (2011).  [DOI: 10.1021/ar100112yExternal link] [CGS]
4211.Zimmermann, Nils E.R.; Haranczyk, Maciej; Sharma, M; Liu, Bei; Smit, Berend; and Keil, Frerich J.  Adsorption and Diffusion in Zeolites: The Pitfall of Isotypic Crystal Structures  Molecular Simulations, 37, 986-989 (2011).  [DOI: 10.1080/08927022.2011.562502External link] [CGS]
4212.Paudel, Tula; Zakutayev, Andriy; Lany, Stephan; d’Avezac, Mayeul; and Zunger, Alex  Doping Rules and Doping Prototypes in A 2 BO 4 Spinel  Adv. Funct. Mater., 21, 4493–4501 (2011).  [DOI: 10.1002/adfm.201101469External link] [CID]
4213.Paudel, Tula; Lany, Stephan; d'Avezac, Mayeul; Zunger, Alex; Perry, Nicola H.; Nagaraja, Arpun R.; Mason, Thomas O.; Bettinger, Joanna S.; Shi, Yezhou; and Toney, Michael F.  Asymmetric cation non-stoichiometry in spinels: site occupancy in Co2ZnO4 and Rh2ZnO4  Phys. Rev. B, 84, 064109 (2011).  [DOI: 10.1103/PhysRevB.84.064109External link] [CID]
4214.Pelatt, Brian; Ravichandran, Ram; Wager, John F.; and Keszler, Douglas A.  Atomic solid state energy scale  Journal of the American Chemical Society, 133, 16852 (2011).  [DOI: 10.1021/ja204670sExternal link] [CID]
4215.Perkins, John D.; Paudel, Tula; Zakutayev, Andriy; Ndione, Paul F.; Parilla, Philip A.; Young, D. L.; Lany, Stephan; Ginley, David S.; Zunger, Alex; Perry, Nicola H.; Tang, Y.; Grayson, Matthew; Mason, Thomas O.; Bettinger, Joanna S.; Shi, Y.; and Toney, Michael F.  Inverse design approach to hole doping in ternary oxides: Enhancing p-type conductivity in cobalt oxide spinels  Phys Rev B, 84, 205207 (2011).  [DOI: 10.1103/PhysRevB.84.205207External link] [CID]
4216.Stevanovic, Vladan; d'Avezac, Mayeul; and Zunger, Alex  Universal electrostatic origin of cation ordering in A2BO4 spinel oxides  J. Am. Chem Soc., 133, 11649–11654 (2011).  [DOI: 10.1021/ja2034602External link] [CID]
4217.Trimarchi, Giancarlo; Peng, Haowei; Im, Jino; Freeman, Arthur J.; Cloet, Veerle; Raw, Adam; Poeppelmeier, Kenneth R; Biswas, Koushik; and Zunger, Alex  Using design principles to systematically plan the synthesis of hole-conducting transparent oxides:  Phys Rev B, 84, 165116 (2011).  [DOI: 10.1103/PhysRevB.84.165116External link] [CID]
4218.Yu, Liping; Lany, Stephan; Kykyneshi, Robert; Jieratum, Vorranutch; Ravichandran, Ram; Pelatt, Brian; Altschul, Emmeline; Platt, A. S.; Wager, John F.; Keszler, Douglas A.; and Zunger, Alex  Iron Chalcogenide Photovoltaic Absorbers  Advanced Energy Materials, 1, 748-753 (2011).  [DOI: 10.1002/aenm.201100351External link] [CID]
4219.Zakutayev, Andriy; Widjonarko, N. Edwin; Perkins, John D.; Parilla, Philip A.; Berry, Joseph J.; and Ginley, David S.  Zn-Ni-Co-O wide-bandgap p-type conductive oxides with high work functions  MRS Communications, 1, 23 (2011).  [DOI: 10.1557/mrc.2011.9External link] [CID]
4220.Cheun, Hyeunseok; Berrigan, John D; Zhou, Yinhua; Fenoll, Mathieu; Shim, Jae Won; Fuentes-Hernandez, Canek; Sandhage, Kenneth H.; and Kippelen, Bernard  Roles of thermally-induced vertical phase segregation and crystallization on the photovoltaic performance of bulk heterojunction inverted polymer solar cells  Energy & Environmental Science, 4(9), 3456-3460 (2011).  [DOI: 10.1039/C1EE01316EExternal link] [CISSEM]
4221.Doubina, Natalia; Paniagua, Sergio A.; Soldatova, Alexandra V.; Jen, Alex K. Y.; Marder, Seth R.; and Luscombe, Christine K.  Steric Effects of the Initiator Substituent Position on the Externally Initiated Polymerization of 2-Bromo-5-iodo-3-hexylthiophene  Macromolecules, 44(3), 512-520 (2011).  [DOI: 10.1021/ma1024494External link] [CISSEM]
4222.Graham, Kenneth; Mei, Jianguo; Stalder, Romain; Shim, Jae Won; Cheun, Hyeunseok; Steffy, Fred; So, Franky; Kippelen, Bernard; and Reynolds, John R.  Polydimethylsiloxane as a Macromolecular Additive for Enhanced Performance of   ACS Appl. Mater. Interfaces, 3(4), 1210-1215 (2011).  [DOI: 10.1021/am2000328External link] [CISSEM]
4223.Hotchkiss, Peter J.; Malicki, Michał; Giordano, Anthony J.; Armstrong, Neal R.; and Marder, Seth R.  Characterization of phosphonic acid binding to zinc oxide  J. Mater. Chem., 21(9), 3107-3112 (2011).  [DOI: 10.1039/C0JM02829KExternal link] [CISSEM]
4224.Mayukh, Mayank; Lu, Chin-Wei; Hernandez, Edgardo; and McGrath, Dominic V.  Peripheral Substitution of a Near-IR-Absorbing Soluble Phthalocyanine Using "Click" Chemistry  Chem.--Eur. J., 17(30), 8472-8478 (2011).  [DOI: 10.1002/chem.201001427External link] [CISSEM]
4225.Meyer, Jens; Zilberberg, K; Riedl, T.; and Kahn, Antoine  Electronic structure of Vanadium pentoxide: An efficient hole injector for organic electronic materials  J. Appl. Phys., 110(3), 033710 (2011).  [DOI: 10.1063/1.3611392External link] [CISSEM]
4226.Meyer, Jens; and Kahn, Antoine  Electronic structure of molybdenum-oxide films and associated charge injection mechanisms in organic devices  J. Photonics Energy, 1, 011109 (2011).  [DOI: 10.1117/1.3555081External link] [CISSEM]
4227.Meyer, Jens; Khalandovsky, Rebecca; Görrn, Patrick; and Kahn, Antoine  MoO3 Films Spin-Coated from Nanoparticle Suspension for Efficient Hole-Injection in Organic Electronics  Adv. Mater., 23(1), 70-73 (2011).  [DOI: 10.1002/adma.201003065External link] [CISSEM]
4228.Okamoto, Ken; and Luscombe, Christine K.  Controlled polymerizations for the synthesis of semiconducting conjugated polymers  Polym. Chem., 2(11), 2424-2434 (2011).  [DOI: 10.1039/c1py00171jExternal link] [CISSEM]
4229.Park, Byoungnam; Kim, Yongjin; Graham, Samuel; and Reichmanis , Elsa  Change in Electronic States in the Accumulation Layer at Interfaces in a Poly(3-hexylthiophene) Field-Effect Transistor and the Impact of Encapsulation  ACS Appl. Mater. Interfaces, 3(9), 3545-3551 (2011).  [DOI: 10.1021/am200760mExternal link] [CISSEM]
4230.Placencia, Diogenes; Wang, Weining; Gantz, Jeremy; Jenkins, Judith L; and Armstrong, Neal R.  Highly Photoactive Titanyl Phthalocyanine Polymorphs as Textured Donor Layers in Organic Solar Cells  J. Phys. Chem. C, 115(38), 18873-18884 (2011).  [DOI: 10.1021/jp2052085External link] [CISSEM]
4231.Polaske, Nathan W.; Lin, Hsiao-Chu; Tang, Anna; Mayukh, Mayank; Oquendo, Luis E.; Green, John; Ratcliff, Erin L.; Armstrong, Neal R.; Saavedra, S. Scott; and McGrath, Dominic V.  Phosphonic Acid Functionalized Asymmetric Phthalocyanines: Synthesis, Modification of Indium Tin Oxide (ITO), and Charge Transfer  Langmuir, 27 (24), 14900–14909 (2011).  [DOI: 10.1021/la203126cExternal link] [CISSEM]
4232.Ratcliff, Erin L.; Meyer, Jens; Steirer, K. Xerxes; Garcia, Andres; Berry, Joseph J.; Ginley, David S.; Olson, Dana C.; Kahn, Antoine; and Armstrong, Neal R.  Evidence for near-Surface NiOOH Species in Solution-Processed NiOx Selective Interlayer Materials: Impact on Energetics and the Performance of Polymer Bulk Heterojunction Photovoltaics  Chem. Mater., 23(22), 4988–5000 (2011).  [DOI: 10.1021/cm202296pExternal link] [CISSEM]
4233.Ratcliff, Erin L.; Zacher, Brian; and Armstrong, Neal R.  Selective Interlayers and Contacts in Organic Photovoltaic Cells  J. Phys. Chem. Lett., 2(11), 1337–1350 (2011).  [DOI: 10.1021/jz2002259External link] [CISSEM]
4234.Schalnat, Matthew C.; Hawkridge, Adam M.; and Pemberton, Jeanne E.  Raman Spectroscopy of the Reaction of Thin Films of Solid-State Benzene with Vapor-Deposited Ag, Mg, and Al  J. Phys. Chem. C, 115(28), 13717-13724 (2011).  [DOI: 10.1021/jp200973qExternal link] [CISSEM]
4235.Simon, Anne M.; Marucci, Nicole E.; and Saavedra, S. Scott  Measuring Photochemical Kinetics in Submonolayer Films by Transient ATR Spectroscopy on a Multimode Planar Waveguide  Anal. Chem. (Washington, DC, U. S.), 83(14), 5762-5766 (2011).  [DOI: 10.1021/ac2011526External link] [CISSEM]
4236.Steele, Mary P.; Kelly, Leah L.; Ilyas, Nahid; and Monti, Oliver L.A.  Resonance and localization effects at a dipolar organic semiconductor interface  J. Chem. Phys., 135(12), 124702 (2011).  [DOI: 10.1063/1.3637051External link] [CISSEM]
4237.Steirer, K. Xerxes; Ndione, Paul F.; Widjonarko, N. Edwin; Lloyd, Matthew T.; Meyer, Jens; Ratcliff, Erin L.; Kahn, Antoine; Armstrong, Neal R.; Curtis, Calvin J.; Ginley, David S.; Berry, Joseph J.; and Olson, Dana C.  Enhanced Efficiency in Plastic Solar Cells via Energy Matched Solution Processed NiOx Interlayers  Adv. Energy Mater., 1(5), 813-820 (2011).  [DOI: 10.1002/aenm.201100234External link] [CISSEM]
4238.Terentjevs, Aleksandrs; Steele, Mary P.; Blumenfeld, Michael L.; Ilyas, Nahid; Kelly, Leah L.; Fabiano, Eduardo; Monti, Oliver L.A.; and Della Sala , Fabio  Interfacial Electronic Structure of the Dipolar Vanadyl Naphthalocyanine on Au (111): “Push-back” vs Dipolar Effects  J. Phys. Chem. C, 115(43), 21128–21138 (2011).  [DOI: 10.1021/jp204720aExternal link] [CISSEM]
4239.Thomas, Jayan; Gangopadhyay, Palash; Araci, Emre; Norwood, Robert A.; and Peyghambarian, Nasser  Nanoimprinting by Melt Processing: An Easy Technique to Fabricate Versatile Nanostructures  Adv. Mater., 23(41), 4782–4787 (2011).  [DOI: 10.1002/adma.201102834External link] [CISSEM]
4240.Zacher, Brian; and Armstrong, Neal R.  Modeling the Effects of Molecular Length Scale Electrode Heterogeneity in Organic Solar Cells  J. Phys. Chem. C, 115 (51), 25496–25507 (2011).  [DOI: 10.1021/jp207471fExternal link] [CISSEM]
4241.Zakutayev, Andriy; Perkins, John D.; Parilla, Philip A.; Widjonarko, N. Edwin; Sigdel, Ajaya K.; Berry, Joseph J.; and Ginley, David S.  Zn–Ni–Co–O wide-band-gap p-type conductive oxides with high work functions  MRS Communications, 1, 23-26 (2011).  [DOI: 10.1557/mrc.2011.9External link] [CISSEM]
4242.Zhou, Yinhua; Cheun, Hyeunseok; Choi, Seungkeun; Fuentes-Hernandez, Canek; and Kippelen, Bernard  Optimization of a polymer top electrode for inverted semitransparent organic solar cells  Org. Electron., 12(5), 827-831 (2011).  [DOI: 10.1016/j.orgel.2011.02.017External link] [CISSEM]
4243.Barnette, Anna L; Bradley, Laura C; Veres, Brandon D; Schreiner, Edward P; Park, Yong Bum; Park, Junyeong; Park, Sunkyu; and Kim, Seong H  Selective Detection of Crystalline Cellulose in Plant Cell Walls with Sum-Frequency-Generation (SFG) Vibration Spectroscopy  Biomacromolecules, 12, 2434-2439 (2011).  [DOI: 10.1021/bm200518nExternal link] [CLSF]
4244.Bashline, Logan; Du, Juan; and Gu, Ying  The trafficking and behavior of cellulose synthase and a glimpse of potential cellulose synthesis regulators  Front. Biol. (Beijing, China), 6(5), 377-383 (2011).  [DOI: 10.1007/s11515-011-1161-3External link] [CLSF]
4245.Cheng, Gang; Liu, Zelin; Murton, Jaclyn K; Jablin, Michael S; Dubey, Manish; Majewski, Jaroslaw; Halbert, Candice E; Browning, James F; Ankner, John; Akgun, Bulent; Wang, Chao; Esker, Alan R; Sale, Kenneth L; Simmons, Blake A; and Kent, Michael S  Neutron Reflectometry and QCM-D Study of the Interaction of Cellulases with Films of Amorphous Cellulose  Biomacromolecules, 12, 2216-2224 (2011).  [DOI: 10.1021/bm200305uExternal link] [CLSF]
4246.Cosgrove, Daniel  Measuring in-vitro extensibility of growth plant cell walls  Methods Mol Biol., 715, 291-303 (2011).  [DOI: 10.1007/978-1-61779-008-9_20External link] [CLSF]
4247.Iyer, Prashanti R; Catchmark, Jeffrey M; Brown, Nicole Robitaille; and Tien, Ming  Biochemical localization of a protein involved in Gluconacetobacter hansenii cellulose synthesis  Cellulose, 18 (3), 739-747 (2011).  [DOI: 10.1007/s10570-011-9504-4External link] [CLSF]
4248.Kittle, Joshua D; Du, Xiaosong; Jiang, Feng; Qian, Chen; Heinze, Thomas; Roman, Maren; and Esker, Alan R  Equilibrium Water Contents of Cellulose Films Determined via Solvent Exchange and Quartz Crystal Microbalance with Dissipation Monitoring  Biomacromolecules, 12, 2881-2887 (2011).  [DOI: 10.1021/bm200352qExternal link] [CLSF]
4249.Watts, Heath D; Mohamed, Mohamed Naseer Ali; and Kubicki, James D  Evaluation of potential reaction mechanisms leading to the formation of coniferyl alcohol a-linkages in lignin: a density functional theory study  Phys. Chem. Chem. Phys., 13, 20974-20985 (2011).  [DOI: 10.1039/c1cp21906eExternal link] [CLSF]
4250.Watts, Heath D; Mohamed, M. Nasser Ali; and Kubicki, James D  Comparison of Multistandard and TMS-Standard Calculated NMR Shifts for Coniferyl Alcohol and Application of the Multistandard Method to Lignin Dimers   J. Phys. Chem. B, 115 (9), 1958-1970 (2011).  [DOI: 10.1021/jp110330qExternal link] [CLSF]
4251.Appel, Aaron M.; Pool, Douglas H; O'Hagan, Molly J.; Shaw, Wendy J.; Yang, Jenny Y; Rakowski DuBois, Mary; DuBois, Daniel L.; and Bullock, R. Morris  [Ni(PPh2NBn2)2(CH3CN)]2+ as an Electrocatalyst for H2 Production: Dependence on Acid Strength and Isomer Distribution  ACS Catalysis, 1, 777-785 (2011).  [DOI: 10.1021/cs2000939External link] [CME]
4252.Auer, Benjamin; Fernandez, Laura E; and Hammes-Schiffer, Sharon  Theoretical Analysis of Proton Relays in Electrochemical Proton-Coupled Electron Transfer  Journal of the American Chemical Society, 133, 8282-8292 (2011).  [DOI: 10.1021/ja201560vExternal link] [CME]
4253.Chen, Shentan; Rousseau, Roger J; Raugei, Simone; Dupuis, Michel; DuBois, Daniel L.; and Bullock, R. Morris  Comprehensive Thermodynamics of Nickel Hydride Bis(Diphosphine) Complexes: A Predictive Model through Computations  Organometallics, 30, 6108-6118 (2011).  [DOI: 10.1021/om200645xExternal link] [CME]
4254.DuBois, Daniel L.; and Bullock, R. Morris  Molecular Electrocatalysts for the Oxidation of Hydrogen and the Production of Hydrogen – The Role of Pendant Amines as Proton Relays  European Journal of Inorganic Chemistry, 2011, 1017-1027 (2011).  [DOI: 10.1002/ejic.201001081External link] [CME]
4255.Dupuis, Michel; Chen, Shentan; Raugei, Simone; DuBois, Daniel L.; and Bullock, R. Morris  Comment on “New Insights in the Electrocatalytic Proton Reduction and Hydrogen Oxidation by Bioinspired Catalysts: A DFT Investigation”  The Jouranal of Physical Chemistry A, 115, 4861-4865 (2011).  [DOI: 10.1021/jp111479zExternal link] [CME]
4256.Galan, Brandon R; Schoffel, Julia; Linehan, John C; Seu, Candace; Appel, Aaron M.; Roberts, John A S; Helm, Monte L.; Kilgore, Uriah J; Yang, Jenny Y; DuBois, Daniel L.; and Kubiak, Clifford P  Electrocatalytic Oxidation of Formate by [Ni(PR2NR'2)2(CH3CN)]2+ Complexes  Journal of the American Chemical Society, 133, 12767-12779 (2011).  [DOI: 10.1021/ja204489eExternal link] [CME]
4257.Hammes-Schiffer, Sharon  Current Theoretical Challenges in Proton-Coupled Electron Transfer: Electron–Proton Nonadiabaticity, Proton Relays, and Ultrafast Dynamics  The Journal of Physical Chemistry Letters, 2, 1410-1416 (2011).  [DOI: 10.1021/jz200277pExternal link] [CME]
4258.Helm, Monte L.; Stewart, Michael P; Bullock, R. Morris; Rakowski DuBois, Mary; and DuBois, Daniel L.  A Synthetic Nickel Electrocatalyst with a Turnover Frequency Above 100,000 s-1 for H2 Production  Science, 333, 863-866 (2011).  [DOI: 10.1126/science.1205864External link] [CME]
4259.Kilgore, Uriah J; Stewart, Michael P; Helm, Monte L.; Dougherty, William G; Kassel, W Scott; Rakowski DuBois, Mary; DuBois, Daniel L.; and Bullock, R. Morris  Studies of a Series of [Ni(PR2NPh2)2(CH3CN)]2+ Complexes as Electrocatalysts for H2 Production: Substituent Variation at the Phosphorus Atom of the P2N2 Ligand.  Inorganic Chemistry, 50, 10908-10918 (2011).  [DOI: 10.1021/ic201461aExternal link] [CME]
4260.Kilgore, Uriah J; Roberts, John A S; Pool, Douglas H; Appel, Aaron M.; Stewart, Michael P; Rakowski DuBois, Mary; Dougherty, William G; Kassel, W Scott; Bullock, R. Morris; and DuBois, Daniel L.  [Ni(PPh2NC6H4X2)2]2+ Complexes as Electrocatalysts for H2 Production: Effect of Substituents, Acids, and Water on Catalytic Rates  Journal of the American Chemical Society, 133, 5861-5872 (2011).  [DOI: 10.1021/ja109755fExternal link] [CME]
4261.Mock, Michael T; Chen, Shentan; Rousseau, Roger J; O'Hagan, Molly J.; Dougherty, William G; Kassel, W Scott; DuBois, Daniel L.; and Bullock, R. Morris  A rare terminal dinitrogen complex of chromium.  Chemical Communications, 47, 12212-12214 (2011).  [DOI: 10.1039/c1cc15430cExternal link] [CME]
4262.Mock, Michael T; Potter, Robert G; O'Hagan, Molly J.; Camaioni, Donald M; Dougherty, William G; Kassel, W Scott; and DuBois, Daniel L.  Synthesis and Hydride Transfer Reactions of Cobalt and Nickel Hydride Complexes to BX3 Compounds  Inorganic Chemistry, 50, 11914-11928 (2011).  [DOI: 10.1021/ic200857xExternal link] [CME]
4263.O'Hagan, Molly J.; Shaw, Wendy J.; Raugei, Simone; Chen, Shentan; Yang, Jenny Y; Kilgore, Uriah J; DuBois, Daniel L.; and Bullock, R. Morris  Moving Protons with Pendant Amines: Proton Mobility in a Nickel Catalyst for Oxidation of Hydrogen  Journal of the American Chemical Society, 133, 14301-14312 (2011).  [DOI: 10.1021/ja201838xExternal link] [CME]
4264.Small, Yolanda A; DuBois, Daniel L.; Fujita, Etsuko; and Muckerman, James T  Proton management as a design principle for hydrogenase-inspired catalysts  Energy & Environmental Science, 4, 3008-3020 (2011).  [DOI: 10.1039/C1EE01170GExternal link] [CME]
4265.Tronic, Tristan A; Rakowski DuBois, Mary; Kaminsky, Werner; Coggins, Michael K; Liu, Tianbiao; and Mayer, James M  Directing Protons to the Dioxygen Ligand of a Ruthenium(II) Complex with Pendent Amines in the Second Coordination Sphere  Angewandte Chemie (International Edition), 50, 10936-10939 (2011).  [DOI: 10.1002/anie.201105266External link] [CME]
4266.Yang, Jenny Y; Bullock, R. Morris; Rakowski DuBois, Mary; and DuBois, Daniel L.  Fast and efficient molecular electrocatalysts for H2 production: Using hydrogenase enzymes as guides  MRS Bulletin, 36, 39-47 (2011).  [DOI: 10.1557/mrs.2010.8External link] [CME]
4267.Arman, B; Brandl, C.; Luo, S N; Germann, T. C.; Misra, A; and Cagin, T  Plasticity in Cu(111) /Cu46Zr54 glass nanolaminates under uniaxial compression  Journal of Applied Physics, 110, 043539 (2011).  [DOI:External link] [CMIME]
4268.Beyerlein, I J; Mara, N A; Bhattacharyya, D; Necker, C T; and Alexander, D J  Texture evolution via combined slip and deformation twinning in rolled silver-copper eutectic nanocomposite  Int. J. Plast., 27, 121-146 (2011).  [DOI: 10.1016/j.ijplas.2010.05.007External link] [CMIME]
4269.Caro, Jose Alfredo; Hetherly, J; Stukowski, A; Caro, M; Martinez, E; Srivilliputhur, S. G.; Zepeda-Ruiz, L; and Nastasi, Michael  Properties of helium bubbles in Fe and FeCr alloys  J. Nucl. Mater., 418, 261 (2011).  [DOI:External link] [CMIME]
4270.del Rio, E. ; Sampedro, J. M.; Dogo, H.; Caturla, M. J.; Caro, M; Caro, J. A.; and Perlado, J. M.  Formation energy of vacancies in FeCr alloys: dependence on Cr concentration  Journal of Nuclear Materials, 408, 18 (2011).  [DOI:External link] [CMIME]
4271.Demkowicz, M J; and Thilly, L.  Structure, shear resistance, and interaction with point of defects of interfaces in Cu-Nb nanocomposites synthesized by severe plastic deformation  Acta Materialia, 59, 7744 (2011).  [DOI:External link] [CMIME]
4272.Demkowicz, M J; Hoagland, R. G.; Uberuaga, B. P.; and Misra, A  Influence of interface sink strength on the reduction of radiation-induced defect concentrations and fluxes in materials with large interface area per unit volume  Phys. Rev. B, 84, 104012 (2011).  [DOI:External link] [CMIME]
4273.Demkowicz, M J; Anderoglu, O; Zhang, X; and Misra, A  The influence of Σ3 twin boundries on the formation of radiation-induced defect clusters in nanowinned Cu  J. Mater. Res., 26, 1666 (2011).  [DOI:External link] [CMIME]
4274.Di, Z F; Bai, X. M.; Wei, Q; Hoagland, R. G.; Wang, Y. -Q.; Misra, A; Uberuaga, B. P.; and Nastasi, Michael  Tunable helium bubble superlattice ordered by screw dislocation network  Phys. Rev. B., 84, 052101 (2011).  [DOI:External link] [CMIME]
4275.Han, W Z; Misra, A; Mara, N A; Germann, T. C.; Baldwin, J K; and Luo, S N  Role of interfaces in shock-induced plasticity in Cu/Nb nanolaminates  Philosophical Magazine, 91, 4172-85 (2011).  [DOI:External link] [CMIME]
4276.Hetherly, J; Martinez, E; Caro, Jose Alfredo; and Nastasi, Michael  Helium bubble growth at bcc twist grain boundaries  J. Nucl. Mater., 419, 201 (2011).  [DOI:External link] [CMIME]
4277.Hunter, A; Beyerlein, I J; Germann, T. C.; and Koslowski, M  Influence of the stacking fault energy surface on extended partials in fcc metals with a 3D phase field dislocation dynamics model  Phys. Rev. B, 84, 144108 (2011).  [DOI:External link] [CMIME]
4278.Levesque, M.; Martinez, E; Fu, C -C.; Nastar, M.; and Soisson, F.  A simple concentration-dependent pair interaction model for large-scale simulations of FeCr alloys  Phys. Rev. B, 84, 184205 (2011).  [DOI:External link] [CMIME]
4279.Li, Nan; Mara, N A; Wang, Y. -Q.; Nastasi, Michael; and Misra, A  Compressive flow behavior of Cu thin films and Cu/Nb multilayers containing nanometer-scale helium bubbles  Scripta Materialia, 64, 974-77 (2011).  [DOI:External link] [CMIME]
4280.Li, N; Carter, J J; Misra, A; Shao, L; and Zhang, X  The Influence of Interfaces on the Formation of Bubbles in He Ion Irradiated Cu/Mo Multilayers  Phil. Mag. Lett., 91, 19-29 (2011).  [DOI:External link] [CMIME]
4281.Martinez, E; and Fu, C -C.  Cr interactions with He and vacancies in dilute Fe-Cr alloys from first principles  Phys. Rev. B, 84, 014203 (2011).  [DOI:External link] [CMIME]
4282.Perez-Bergquist, A.; Cerreta, Ellen K.; Trujillo, Carl P.; Cao, Fang; and Gray III, G. T.  Orientation Dependence of Void Formation and Substructure Deformation in a Spalled Copper Bicrystal  Scripta Materialia, 65, 1069 (2011).  [DOI:External link] [CMIME]
4283.Uberuaga, B. P.; and Bai, X. M.  Defects in rutile and anatase polymorphs of TiO2: kinetics and thermodynamics near grain boundaries  J. Phys.: Condens. Matter, 23, 435004 (2011).  [DOI:External link] [CMIME]
4284.Valone, S M  A Concept of Fragment Hardness, Independent of Net Charge, From a Wave-Function Perspective  J. Phys. Chem. Lett, 2, 2618 (2011).  [DOI:External link] [CMIME]
4285.Valone, S M  Quantum Mechanical Origins of the Iczkowski-Margrave Model of Chemical Potential  J. Chem. Theor. Comput., 7, 2253-61 (2011).  [DOI:External link] [CMIME]
4286.Wang, J.; Beyerlein, I J; Mara, N A; and Bhattacharyya, D  Interface-facilitated deformation twinning in copper within submicron Ag-Cu multilayered composites  Scripta Materialia, 64, 1083-1086 (2011).  [DOI:External link] [CMIME]
4287.Wei, Q; Li, Nan; Mara, N A; Nastasi, Michael; and Misra, A  Suppression of irradiation hardening in nanoscale V/Ag multilayers  Acta Materialia, 59, 6331 (2011).  [DOI:External link] [CMIME]
4288.Wei, Q M; Wang, Y Q; Nastasi, Michael; and Misra, A  Nucleation and Growth of Bubbles in He Ion Implanted V/Ag Multilayers,  Philos. Mag., 91, 553 (2011).  [DOI:External link] [CMIME]
4289.Zhang, R F; Wang, J.; Beyerlein, I J; and Germann, T. C.  Twinning in bcc metals under shock loading: A challenge to empirical potentials  Phil. Mag. Lett., 91, 731-740 (2011).  [DOI:External link] [CMIME]
4290.Zhang, R F; Wang, J.; Beyerlein, I J; and Germann, T. C.  Dislocation Nucleation Mechanisms from fcc/bcc Incoherent Interfaces  Scripta Materialia, 65, 1022-25 (2011).  [DOI:External link] [CMIME]
4291.Zhuo, M J; Fu, E G; Yan, L; Wang, Y Q; Zhang, Y Y; Dickerson, R M; Uberuaga, B. P.; Misra, A; Nastasi, Michael; and Jia, Q X  Interface-enhanced defect absorption between epitaxial anatase TiO2 film and single crystal SrTiO3  Scripta Materialia, 65, 807 (2011).  [DOI:External link] [CMIME]
4292.Aidhy, Dilpuneet S. ; Wolf, Dieter ; and El-Azab, Anter  Comparison of point-defect clustering in irradiated CeO2 and UO2: A unified view from molecular dynamics simulations and experiments  Scripta Materialia, 65, Issue 10, 867-870 (2011).  [DOI: 10.1016/j.scriptamat.2011.07.051External link] [CMSNF]
4293.Chernatynskiy, Aleksandr; Turney, Joseph E.; McGaughey , Alan J. H. ; Amon, Christina H. ; and Phillpot, Simon R.  Phonon-Mediated Thermal Conductivity in Ionic Solids by Lattice Dynamics-Based Methods  Journal of the American Ceramic Society, 94, Issue 10, 3523-3531 (2011).  [DOI: 10.1111/j.1551-2916.2011.04743.xExternal link] [CMSNF]
4294.Hurley, David H. ; Khafizov, Marat ; and Shinde, S. L.  Measurement of the Kapitza resistance across a bicrystal interface   Journal of Applied Physics, 109, 083501 (2011).  [DOI: 10.1063/1.3573511External link] [CMSNF]
4295.Khafizov, Marat ; and Hurley, David H.  Measurement of Thermal Transport Using Time-Resolved Thermal Wave Microscopy  Journal of Applied Physics, 110, 83525, 7 (2011).  [DOI: 10.1063/1.3653829External link] [CMSNF]
4296.Phillpot, Simon R. ; El-Azab, Anter ; Chernatynskiy, Aleksandr; and Tulenko, James S.  Thermal Conductivity of UO2 Fuel: Predicting Fuel Performance from Simulation   Journal of The Minerals, Metals and Materials Societ, 63 No. 8, 73-79 (2011).  [DOI: 10.1007/s11837-011-0143-xExternal link] [CMSNF]
4297.Yu, Jiangou; Rosso, Kevin M.; and Bruemmer, Stephen M.  Charge and Ion Transport in NiO and Aspects of Ni Oxidation from First Principles  Journal of Physical Chemistry, 116 (2) , 1948-1954 (2011).  [DOI: 10.1021/jp208080vExternal link] [CMSNF]
4298.Bakke, J. R.; Tanskanen, J. T.; Jung, H. J.; Sinclair, R.; and Bent, S. F.  Atomic layer deposition of Cd(x)Zn(1-x)S films  Journal of Materials Chemistry, 21, 743-751 (2011).  [DOI: 10.1039/c0jm02786cExternal link] [CNEEC]
4299.Bakke, J. R.; Pickrahn, K. L.; Brennan, T. P.; and Bent, S. F.  Nanoengineering and interfacial engineering of photovoltaics by atomic layer deposition  Nanoscale, 3, 3482-3508 (2011).  [DOI: 10.1039/c1nr10349kExternal link] [CNEEC]
4300.Brennan, T. P.; Ardalan, P.; Lee, H. B. R.; Bakke, J. R.; Ding, I. K.; McGehee, M. D.; and Bent, S. F.  Atomic Layer Deposition of CdS Quantum Dots for Solid-State Quantum Dot Sensitized Solar Cells  Advanced Energy Materials, 1, 1169-1175 (2011).  [DOI: 10.1002/aenm.201100363External link] [CNEEC]
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