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.

201.Gándara, Felipe; Furukawa, Hiroyasu; Lee, Seungkyu; and Yaghi, Omar M.  High Methane Storage Capacity in Aluminum Metal−Organic Frameworks  J. Am. Chem Soc., , (2014).  [DOI: 10.1021/ja501606hExternal link] [CGS]
202.Gu, Zhi-Yuan; Park, Jihye; Raiff, Aaron; Wei, Zhangwen; and Zhou, Hong-Cai  Metal–Organic Frameworks as Biomimetic Catalysts  Chem. Cat. Chem., 6, 67–75 (2014).  [DOI: 10.1002/cctc.201300493External link] [CGS]
203.Herm, Zoey R; Bloch, Eric D; and Long, Jeffrey R  Hydrocarbon Separations in Metal−Organic Frameworks  Chem. Mater., 26, 323-338 (2014).  [DOI: 10.1021/cm402897cExternal link] [CGS]
204.Kim, Jihan; Lin, Li-Chiang; Lee, Kyuho; Neaton, Jeffrey B.; and Smit, Berend  Efficient Determination of Accurate Force Fields for Porous Materials Using ab Initio Total Energy Calculations  J. Phys. Chem. C, 118, 2693−2701 (2014).  [DOI: 10.1021/jp412368mExternal link] [CGS]
205.Park, Jinhee; Sun, Lin-Bing; Chen, Ying-Pin; Perry, Zachary; and Zhou, Hong-Cai  Azobenzene-Functionalized Metal–Organic Polyhedra for the Optically Responsive Capture and Release of Guest Molecules  Angew. Chem. Int. Ed., , (2014).  [DOI: 10.1002/anie.201310211External link] [CGS]
206.Poloni, Roberta; Lee, Kyuho; Berger, Robert F.; Smit, Berend; and Neaton, Jeffrey B.  Understanding Trends in CO2 Adsorption in Metal–Organic Frameworks with Open-Metal Sites  J. Phys. Chem. Lett., 5, 861–865 (2014).  [DOI: 10.1021/jz500202xExternal link] [CGS]
207.Sun, Weizhen; Lin, Li-Chiang; Peng, Xuan; and Smit, Berend  Computational screening of porous metal-organic frameworks and zeolites for the removal of SO2 and NOx from flue gases  AIChE J., , (2014).  [DOI: 10.1002/aic.14467External link] [CGS]
208.Van Humbeck, Jeffrey F.; McDonald, Thomas M; Jing, Xiaofei; Wiers, Brian M.; Zhu, Guangshan; and Long, Jeffrey R  Ammonia Capture in Porous Organic Polymers Densely Functionalized with Brønsted Acid Groups  J. Am. Chem Soc., 136, 2432−2440 (2014).  [DOI: 10.1021/ja4105478External link] [CGS]
209.Zhang, Muwei; Bosch, Mathieu; Gentle III, Thomas; and Zhou, Hong-Cai  Rational design of metal–organic frameworks with anticipated porosities and functionalities  Cryst. Eng. Comm., 16, 4069-4083 (2014).  [DOI: 10.1039/C4CE00321GExternal link] [CGS]
210.Zhang, Muwei; Perry, Zachary; Park, Jinhee; and Zhou, Hong-Cai  Stable benzimidazole-incorporated porous polymer network for carbon capture with high efficiency and low cost  Polym., 55, 335-339 (2014).  [DOI: 10.1016/j.polymer.2013.09.029External link] [CGS]
211.Zhang, Muwei; Chen, Ying-Pin; Bosch, Mathieu; Gentle III, Thomas; Wang, Kecheng; Feng, Dawei; Wang, Zhiyong U.; and Zhou, Hong-Cai  Symmetry-Guided Synthesis of Highly Porous Metal–Organic Frameworks with Fluorite Topology  Angew. Chem. Int. Ed., 53, 815-818 (2014).  [DOI: 10.1002/anie.201307340External link] [CGS]
212.Zhang, Muwei; Lu, Weigang; Li, Jian-Rong; Bosch, Mathieu; Chen, Ying-Pin; Liu, Tian-Fu; Liu, Yangyang; and Zhou, Hong-Cai  Design and synthesis of nucleobase-incorporated metal–organic materials  Inorg. Chem. Front., 1, 159–162 (2014).  [DOI: 10.1039/c3qi00042gExternal link] [CGS]
213.Heo, J. ; Laurita, G. ; Muir, S.; Subramanian, M. A.; and Keszler, Douglas A.  Enhanced Thermoelectric Performance of Synthetic Tetrahedrites  Chem. Mater., 26, 2047–2051 (2014).  [DOI: 10.1021/cm404026kExternal link] [CID]
214.Ndione, Paul F.; Shi, Y. Z.; Stevanovic, Vladan; Zakutayev, Andriy; Lany, Stephan; Parilla, Philip A.; Perkins, John D.; Berry, J. J.; Ginley, D. S.; and Toney, Michael F.  Control of the Electrical Properties in Spinel Oxides by Manipulating the Cation Disorder  Adv. Func. Mater., 24, 610–618 (2014).  [DOI: 10.1002/adfm.201302535External link] [CID]
215.Shi, Yezhou; Ndione, Paul F.; Lim, Linda Y.; Sokaras, Dimosthenis; Weng, Tsu-Chien; Nagaraja, Arpun R.; Karydas, Andreas G.; Perkins, John D.; Mason, Thomas O.; Ginley, David S.; Zunger, Alex; and Toney, Michael F.  Self-Doping and Electrical Conductivity in Spinel Oxides: Experimental Validation of Doping Rules  Chem. Mater., 26, 1867-1873 (2014).  [DOI: 10.1021/cm404031kExternal link] [CID]
216.Stevanovic, Vladan; Lany, Stephen; Ginley, David S; Tumas, William; and Zunger, Alex  Assessing Capability of Semiconductors to Split Water Using Ionization Potentials and Electron Affinities Only  Phys. Chem. Chem. Phys., 16, 3706-3714 (2014).  [DOI: 10.1039/C3CP54589JExternal link] [CID]
217.Vidal, Julien; Lany, Stephan; Francis, J.; Kokenyesi, Robert S.; and Tate, J.  Structural and electronic modification of photovoltaic SnS by alloying  J. Appl. Phys., 115, 113507 (2014).  [DOI: 10.1063/1.4868974External link] [CID]
218.Zhang, X; Liu, Q; Luo, Jun-Wei; Freeman, A. J.; and Zunger, Alex  Hidden spin polarization in inversion-symmetric bulk crystals  Nature Phys., 10, 387–393 (2014).  [DOI: 10.1038/NPHYS2933External link] [CID]
219.Cowan, Sarah R.; Schulz, Philip; Giordano, Anthony J.; Garcia, Andres; MacLeod, Bradley A.; Marder, Seth R.; Kahn, Antoine; Ginley, David S.; Ratcliff, Erin L.; and Olson, Dana C.  Chemically Controlled Reversible and Irreversible Extraction Barriers Via Stable Interface Modification of Zinc Oxide Electron Collection Layer in Polycarbazole-based Organic Solar Cells  Adv. Funct. Mater., , Early View (2014).  [DOI: 10.1002/adfm.201400158External link] [CISSEM]
220.Dai, An; Zhou, Yinhua; Shu, Andrew L.; Mohapatra, Swagat K.; Wang, He; Fuentes-Hernandez, Canek; Zhang, Yadong; Barlow, Stephen; Loo, Yueh-Lin; Marder, Seth R.; Kippelen, Bernard; and Kahn, Antoine  Enhanced Charge-Carrier Injection and Collection Via Lamination of Doped Polymer Layers p-Doped with a Solution-Processible Molybdenum Complex  Adv. Funct. Mater., 24(15), 2197-2204 (2014).  [DOI: 10.1002/adfm.201303232External link] [CISSEM]
221.Gliboff, Matthew; Sulas, Dana; Nordlund, Dennis; deQuilettes, Dane W.; Nguyen, Phu D.; Seidler, Gerald T; Li, Xiaosong; and Ginger, David S.  Direct Measurement of Acceptor Group Localization on Donor-Acceptor Polymers using Resonant Auger Spectroscopy  J. Phys. Chem. C, 118 (10), 5570–5578 (2014).  [DOI: 10.1021/jp412150jExternal link] [CISSEM]
222.Khan, Talha Mansur; Zhou, Yinhua; Dindar, Amir; Shim, Jae Won; Fuentes-Hernandez, Canek; and Kippelen, Bernard  Organic Photovoltaic Cells with Stable Top Metal Electrodes Modified with Polyethylenimine  ACS Appl. Mater. Interfaces, , Just Accepted (2014).  [DOI: 10.1021/am501236zExternal link] [CISSEM]
223.Li, Hong; Ratcliff, Erin L.; Sigdel, Ajaya K.; Giordano, Anthony J.; Marder, Seth R.; Berry, Joseph J.; and Brédas, Jean-Luc  Modification of the Gallium-Doped Zinc Oxide Surface with Self-Assembled Monolayers of Phosphonic Acids: A Joint Theoretical and Experimental Study  Adv. Funct. Mater., , Early View (2014).  [DOI: 10.1002/adfm.201303670External link] [CISSEM]
224.Li, Hong; Winget, Paul; and Brédas, Jean-Luc  Transparent Conducting Oxides of Relevance to Organic Electronics: Electronic Structures of Their Interfaces with Organic Layers  Chem. Mater., 26 (1), 631–646 (2014).  [DOI: 10.1021/cm402113kExternal link] [CISSEM]
225.MacLeod, Bradley A.; Schulz, Philip; Cowan, Sarah R.; Garcia, Andres; Ginley, David S.; Kahn, Antoine; and Olson, Dana C.  Improved Performance in Bulk Heterojunction Organic Solar Cells with a Sol-Gel MgZnO Electron-Collecting Layer  Adv. Energy Mater., , Early View (2014).  [DOI: 10.1002/aenm.201400073External link] [CISSEM]
226.Morse, Graham E.; Gantz, Jeremy L.; Steirer, K. Xerxes; Armstrong, Neal R.; and Bender, Timothy P.  Pentafluorophenoxy Boron Subphthalocyanine (F5BsubPc) as a Multifunctional Material for Organic Photovoltaics  ACS Appl. Mater. Interfaces, 6 (3), 1515–1524 (2014).  [DOI: 10.1021/am404179zExternal link] [CISSEM]
227.Paniagua, Sergio A.; Li, E. L.; and Marder, Seth R.  Adsorption studies of a phosphonic acid on ITO: film coverage, purity, and induced electronic structure changes  Phys. Chem. Chem. Phys., 16 (7), 2874-2881 (2014).  [DOI: 10.1039/C3CP54637CExternal link] [CISSEM]
228.Schulz, Philip; Cowan, Sarah; Guan, Ze-Lei; Garcia, Andres; Olson, Dana C.; and Kahn, Antoine  NiOx/MoO3 Bi-Layers as Efficient Hole Extraction Contacts in Organic Solar Cells  Adv. Funct. Mater., 24(5), 701–706 (2014).  [DOI: 10.1002/adfm.201302477External link] [CISSEM]
229.Shim, Jae Won; Fuentes-Hernandez, Canek; Zhou, Yinhua; Dindar, Amir; Khan, Talha Mansur; Giordano, Anthony J.; Cheun, Hyeunseok; Yun, Minseong; Marder, Seth R.; and Kippelen, Bernard  Inverted Tandem Polymer Solar Cells with Polyethylenimine-Modified MoOx/Al2O3:ZnO Nanolaminate as the Charge Recombination Layers  Adv. Energy Mater., , Early View (2014).  [DOI: 10.1002/aenm.201400048External link] [CISSEM]
230.Taphouse, John H.; Smith, ONeil L.; Marder, Seth R.; and Cola, Baratunde A.  A Pyrenylpropyl Phosphonic Acid Surface Modifier for Mitigating the Thermal Resistance of Carbon Nanotube Contacts  Adv. Funct. Mater., 24(4), 465–471 (2014).  [DOI: 10.1002/adfm.201301714External link] [CISSEM]
231.Widjonarko, N. Edwin; Schulz, Philip; Parilla, Philip A.; Perkins, Craig L.; Ndione, Paul F.; Sigdel, Ajaya K.; Olson, Dana C.; Ginley, David S.; Kahn, Antoine; Toney, Michael F.; and Berry, Joseph J.  Impact of Hole Transport Layer Surface Properties on the Morphology of a Polymer-Fullerene Bulk Heterojunction  Adv. Energy Mater., , Early View (2014).  [DOI: 10.1002/aenm.201301879External link] [CISSEM]
232.Winget, Paul; Schirra, Laura K.; Cornil, David; Li, Hong; Coropceanu, Veaceslav; Ndione, Paul F.; Sigdel, Ajaya K.; Ginley, David S.; Berry, Joseph J.; Shim, Jae Won; Kim, Hyungchul; Kippelen, Bernard; Brédas, Jean-Luc; and Monti, Oliver L.A.  Defect-Driven Interfacial Electronic Structures at an Organic/Metal-Oxide Semiconductor Heterojunction  Adv. Mater., , Early View (2014).  [DOI: 10.1002/adma.201305351External link] [CISSEM]
233.Zhou, Yinhua; Shim, Jae Won; Fuentes-Hernandez, Canek; Khan, Talha Mansur; and Kippelen, Bernard  Inverted organic solar cells with polymer-modified fluorine-doped tin oxide as the electron-collecting electrode  Thin Solid Films, 554 (3), 54-57 (2014).  [DOI: 10.1016/j.tsf.2013.05.059External link] [CISSEM]
234.Zhou, Yinhua; Khan, Talha Mansur; Liu, Jen-Chieh; Fuentes-Hernandez, Canek; Shim, Jae Won; Najafabadi, Ehsan; Youngblood, Jeffrey P.; Moon, Robert J.; and Kippelen, Bernard  Efficient recyclable organic solar cells on cellulose nanocrystal substrates with a conducting polymer top electrode deposited by film-transfer lamination  Org. Electron., 15(3), 661–666 (2014).  [DOI: 10.1016/j.orgel.2013.12.018External link] [CISSEM]
235.Zhou, Yinhua; Khan, Talha Mansur; Shim, Jae Won; Dindar, Amir; Fuentes-Hernandez, Canek; and Kippelen, Bernard  All-plastic solar cells with a high photovoltaic dynamic range  J. Mater. Chem. A, 2 (10), 3492-3497 (2014).  [DOI: 10.1039/C3TA15073AExternal link] [CISSEM]
236.Diehl, Brett G.; Watts, Heath D; Kubicki, James D; Regner, Matthew R; Ralph, John; and Brown, Nicole Robitaille  Towards lignin-protein crosslinking: amino acid adducts of a lignin model quinone methide  Cellulose, , (2014).  [DOI: 10.1007/s10570-014-0181-yExternal link] [CLSF]
237.Gu, Jin; and Catchmark, Jeffrey M  Roles of xyloglucan and pectin on the mechanical properties of bacterial cellulose composite films  Cellulose, 21, 275-289 (2014).  [DOI: 10.1007/s10570-013-0115-0External link] [CLSF]
238.Haigler, Candace H.; Grimson, Mark J; Gervais, Julien; Le Moigne, Nicolas; Ho¨ fte, Herman; Monasse, Bernard; and Navard, Patrick  Molecular Modeling and Imaging of Initial Stages of Cellulose Fibril Assembly: Evidence for a Disordered Intermediate Stage  PLoS One, 9(4), e93981 (2014).  [DOI: 10.1371/journal.pone.0093981External link] [CLSF]
239.Kafle, Kabindra; Greeson, Kenneth; Lee, Christopher M; and Kim, Seong H  Cellulose polymorphs and physical properties of cotton fabrics processed with commercial textile mills for mercerization and liquid ammonia treatments  Text. Res. J., , (2014).  [DOI: 10.1177/0040517514527379External link] [CLSF]
240.Kafle, Kabindra; Xi, Xiaoning; Lee, Christopher M; Tittmann, Bernhard; Cosgrove, Daniel; Park, Yong Bum; and Kim, Seong H  Cellulose microfibril orientation in onion (Allium cepa L.) epidermis studied by atomic force microscopy (AFM) and vibrational sum frequency generation (SFG) spectroscopy  Cellulose, 21, 1075-1086 (2014).  [DOI: 10.1007/s10570-013-0121-2External link] [CLSF]
241.Kiemle, Sarah N; Zhang, Xiao; Esker, Alan R; Toriz, Guillermo; Gatenholm, Paul; and Cosgrove, Daniel  Role of (1,3)(1,4)-β-Glucan in Cell Walls: Interaction with Cellulose  Biomacromolecules, , (2014).  [DOI: 10.1021/bm5001247External link] [CLSF]
242.Kong, Lingyan; Lee, Christopher M; Kim, Seong H; and Ziegler, Gregory R  Characterization of starch polymorphic structures using vibrational sum frequency generation (SFG) spectroscopy  J. Phys. Chem. B, 118 (7), 1775–1783 (2014).  [DOI: 10.1021/jp411130nExternal link] [CLSF]
243.Kubicki, James D; Watts, Heath D; Zhao, Zhen; and Zhong, Linghao  Quantum Mechanical Calculations on Cellulose-Water Interactions: Structures, Energetics, Vibrational Frequencies and NMR Chemical Shifts for Surfaces of Iα and Iβ Cellulose  Cellulose, 21, 909-926 (2014).  [DOI: 10.1007/s10570-013-0029-xExternal link] [CLSF]
244.Lee, Christopher M; Kafle, Kabindra; Park, Yong Bum; and Kim, Seong H  Probing crystal structure and mesoscale assembly of cellulose microfibrils in plant cell walls, tunicate tests, and bacterial films using vibrational Sum Frequency Generation (SFG) spectroscopy  Phys. Chem. Chem. Phys., 16 (22), 10844-10853 (2014).  [DOI: 10.1039/C4CP00515EExternal link] [CLSF]
245.McCarthy, Thomas W; Der, Joshua P; Honaas, Loren A; dePamphilis, Claude W; and Anderson, Charles T.  Phylogenetic analysis of pectin-related gene families in Physcomitrella patens and nine other plant species yields evolutionary insights into cell walls  BMC Plant Biol., 14, 79 (2014).  [DOI: 10.1186/1471-2229-14-79External link] [CLSF]
246.Slabaugh, Erin; Davis, Jonathan K.; Haigler, Candace H.; Yingling, Yaroslava G.; and Zimmer, Jochen  Cellulose synthases: new insights from crystallography and modeling  Trends Plant Sci., 19, 99-106 (2014).  [DOI: 10.1016/j.tplants.2013.09.009External link] [CLSF]
247.Wang, Chao; and Esker, Alan R  Nanocrystalline chitin thin films  Carbohydr. Polym., 102, 151-158 (2014).  [DOI: 10.1016/j.carbpol.2013.10.103External link] [CLSF]
248.Watts, Heath D; Mohamed, M. Nasser Ali; and Kubicki, James D  A DFT study of vibrational frequencies and ¹³C NMR chemical shifts of model cellulosic fragments as a function of size  Cellulose, 21, 53-70 (2014).  [DOI: 10.1007/s10570-013-0128-8External link] [CLSF]
249.Xiao, Chaowen; Somerville, Chris R; and Anderson, Charles T.  POLYGALACTURONASE INVOLVED IN EXPANSION1 Functions in Cell Elongation and Flower Development in Arabidopsis  Plant Cell, 26, 1018-1035 (2014).  [DOI: 10.1105/tpc.114.123968External link] [CLSF]
250.Yi, Hojae; and Puri, Virendra M.  Contributions of the mechanical properties of major structural polysaccharides to the stiffness of a primary cell wall network model  Am. J. Bot., 101, 1-11 (2014).  [DOI: 10.3732/ajb.1300315External link] [CLSF]
251.Zamil, M. Shafayet; Yi, Hojae; and Puri, Virendra M.  Mechanical Characterization of Onion Outer Epidermal Middle Lamella under Tensile Loading  Am. J. Bot., 101(5), (2014).  [DOI: 10.3732/ajb.1300416External link] [CLSF]
252.Zhang, Tian; Mahgsoudy-Louyeh, Sahar; Tittmann, Bernhard; and Cosgrove, Daniel  Visualization of the nanoscale pattern of recently-deposited cellulose microfibrils and matrix materials in never-dried primary walls of the onion epidermis  Cellulose, 21, 853-862 (2014).  [DOI: 10.1007/s10570-013-9996-1External link] [CLSF]
253.Zhao, Zhen; Crespi, Vincent H.; Kubicki, James D; Cosgrove, Daniel; and Zhong, Linghao  Molecular dynamics simulation study of xyloglucan adsorption on cellulose surfaces: effects of surface hydrophobicity and side-chain variation  Cellulose, 21, 1025-1039 (2014).  [DOI: 10.1007/s10570-013-0041-1External link] [CLSF]
254.Appel, Aaron M.; and Helm, Monte L.  Determining the Overpotential for a Molecular Electrocatalyst  ACS Catalysis, 4, 630-633 (2014).  [DOI: 10.1021/cs401013vExternal link] [CME]
255.Bullock, R. Morris; Appel, Aaron M.; and Helm, Monte L.  Production of Hydrogen by Electrocatalysis: Making the H-H Bond by Combining Protons and Hydrides  Chemical Communications, 50, 3125-3143 (2014).  [DOI: 10.1039/C3CC46135AExternal link] [CME]
256.Chen, Shentan; Ho, Ming-Hsun; Bullock, R. Morris; DuBois, Daniel L.; Dupuis, Michel; Rousseau, Roger J; and Raugei, Simone  Computing Free Energy Landscapes: Application to Ni-based Electrocatalysts with Pendant Amines for H2 Production and Oxidation  ACS Catalysis, 4, 229-242 (2014).  [DOI: 10.1021/cs401104wExternal link] [CME]
257.Darmon, Jonathan M; Raugei, Simone; Liu, Tianbiao; Hulley, Elliott B; Weiss, Charles J; Bullock, R. Morris; and Helm, Monte L.  Iron Complexes for the Electrocatalytic Oxidation of Hydrogen: Tuning Primary and Secondary Coordination Spheres  ACS Catalysis, 4, 1246-1260 (2014).  [DOI: 10.1021/cs500290wExternal link] [CME]
258.Das, Parthapratim; Ho, Ming-Hsun; O'Hagan, Molly J.; Shaw, Wendy J.; Bullock, R. Morris; Raugei, Simone; and Helm, Monte L.  Controlling proton movement: electrocatalytic oxidation of hydrogen by a nickel(II) complex containing proton relays in the second and outer coordination spheres  Dalton transactions, 43, 2744-2754 (2014).  [DOI: 10.1039/C3DT53074DExternal link] [CME]
259.DuBois, Daniel L.  Development of Molecular Electrocatalysts for Energy Storage  Inorg. Chem., 53, 3935-3960 (2014).  [DOI: 10.1021/ic4026969External link] [CME]
260.Fang, Ming; Engelhard, Mark H; Zhu, Zihua; Helm, Monte L.; and Roberts, John A S  Electrodeposition from Acidic Solutions of Nickel Bis(benzenedithiolate) Produces a Hydrogen-Evolving Ni–S Film on Glassy Carbon  ACS Catalysis, 4, 90-98 (2014).  [DOI: 10.1021/cs400675uExternal link] [CME]
261.Galan, Brandon R; Wiedner, Eric S; Helm, Monte L.; Linehan, John C; and Appel, Aaron M.  Effects of Phosphine–Carbene Substitutions on the Electrochemical and Thermodynamic Properties of Nickel Complexes  Organometallics, , (2014).  [DOI: 10.1021/om500206eExternal link] [CME]
262.Ghosh, Soumya; Horvath, Samantha; Soudackov, Alexander V; and Hammes-Schiffer, Sharon  Electrochemical Solvent Reorganization Energies in the Framework of the Polarizable Continuum Model  Journal of Chemical Theory and Computation, , doi:10.1021-ct500051e (2014).  [DOI: 10.1021/ct500051eExternal link] [CME]
263.Heiden, Zachariah M; Chen, Shentan; Labios, Liezel A; Bullock, R. Morris; Walter, Eric D; Tyson, Elizabeth L; and Mock, Michael T  Proton and Electron Additions to Iron(II) Dinitrogen Complexes Containing Pendant Amines  Organometallics, 33, 1333-1336 (2014).  [DOI:External link] [CME]
264.Layfield, Joshua P; and Hammes-Schiffer, Sharon  Hydrogen Tunneling in Enzymes and Biomimetic Models  Chemical Reviews, , DOI: 10.1021.cr400400p (2014).  [DOI: 10.1021/cr400400pExternal link] [CME]
265.Lense, Sheri; Dutta, Arnab; Roberts, John A S; and Shaw, Wendy J.  A proton channel allows a hydrogen oxidation catalyst to operate at a moderate overpotential with water acting as a base  Chemical Communications, 50, 792-795 (2014).  [DOI: 10.1039/C3CC46829AExternal link] [CME]
266.Liu, Tianbiao; Wang, Xiaoping; Hoffmann, Christina; DuBois, Daniel L.; and Bullock, R. Morris  Heterolytic Cleavage of Hydrogen by an Iron Hydrogenase Model: An Fe‐H⋅⋅⋅H‐N Dihydrogen Bond Characterized by Neutron Diffraction  Angewandte Chemie (International Edition), , (2014).  [DOI: 10.1002.anie.201402090External link] [CME]
267.Reback, Matthew L; Buchko, Garry W; Kier, Brandon L; Ginovska-Pangovska, Bojana; Xiong, Yijia; Lense, Sheri; Hou, Jianbo; Roberts, John A S; Sorensen, Christina M; Raugei, Simone; Squier, Thomas C; and Shaw, Wendy J.  Enzyme Design from the Bottom Up: An Active Nickel Electrocatalyst with a Structured Peptide Outer Coordination Sphere  Chemistry: A European Journal, 20, 1510-1514 (2014).  [DOI: 10.1002/chem.201303976External link] [CME]
268.Solis, Brian H; and Hammes-Schiffer, Sharon  Proton-Coupled Electron Transfer in Molecular Electrocatalysis: Theoretical Methods and Design Principles  Inorganic Chemistry, , (2014).  [DOI: 10.1021/ic5002896External link] [CME]
269.Stolley, Ryan M; Darmon, Jonathan M; and Helm, Monte L.  Solvent and Electrolyte Effects on Ni(PR2NR'2)2-Catalyzed Electrochemical Oxidation of Hydrogen  Chemical Communications, 50, 3681-3684 (2014).  [DOI: 10.1039/C4CC00295DExternal link] [CME]
270.Weiss, Charles J; Egbert, Jonathan D; Chen, Shentan; Helm, Monte L.; Bullock, R. Morris; and Mock, Michael T  Protonation Studies of a Tungsten Dinitrogen Complex Supported by a Diphosphine Ligand Containing a Pendant Amine  Organometallics, , (2014).  [DOI: 10.1021/om401127vExternal link] [CME]
271.Wiedner, Eric S; and Helm, Monte L.  Comparison of [Ni(PPh2NPh2)2(CH3CN)]2+ and [Pd(PPh2NPh2)2]2+ as Electrocatalysts for H2 Production  Organometallics, , (2014).  [DOI: 10.1021/om4010669External link] [CME]
272.Aguiar, Jeff A.; Dholabhai, P P; Bi, Z.; Jia, Q X; Fu, E G; Wang, Y. -Q.; Misra, A; and Uberuaga, B. P.  Linking interfacial step structure and chemistry with locally enhanced radiation-induced amorphization at oxide heterointerfaces  Advanced Materials Interfaces, 1, 1300142 (2014).  [DOI: 10.1002/admi.201300142External link] [CMIME]
273.Beyerlein, I J; Zhang, X; and Misra, A  Growth twins and deformation twins in metals  Annual Reviews in Materials Research, , (2014).  [DOI:External link] [CMIME]
274.Beyerlein, I J; Mayeur, J; McCabe, R J; Zheng, S J; Carpenter, J S; and Mara, N A  Influence of slip and twinning on the crystallographic stability of bimetal interfaces in nanocomposites under deformation  Acta Materialia, 64, (2014).  [DOI:External link] [CMIME]
275.Beyerlein, I J; Mayeur, J; Zheng, S J; Mara, N A; Wang, J.; and Misra, A  Emergence of stable interfaces under extreme plastic deformation  PNAS, 111, (2014).  [DOI: 10.1073/pnas.1319436111External link] [CMIME]
276.Bi, Z.; Uberuaga, B. P.; Vernon, L J; Fu, E G; Zheng, S; Wang, Y. -Q.; Misra, A; and Jia, Q X  Role of the interface on radiation damage in the SrTiO3/LaAlO3 heterostructure under Ne2+ ion irradiation  Journal of Applied Physics, 115, 124315 (2014).  [DOI: 10.1063/1.4870052External link] [CMIME]
277.Carpenter, J S; McCabe, R J; Zheng, S J; Wynn, T A; Mara, N A; and Beyerlein, I J  Processing Parameter Influence on Texture and Microstructural Evolution in Cu-Nb Multilayer Composites Fabricated via Accumulative Roll Bonding  Materials and Metallurgical Transactions, , (2014).  [DOI:External link] [CMIME]
278.Cobb, J.; Vachhani, S.; Dickerson, R M; Dickerson, P O; Han, W Z; Mara, N A; and Schneider, J  Layer Stability and Material Properties of Friction Stir Welded Cu-Nb Nanolamellar Composite Plates  Materials Research Letters, , (2014).  [DOI:External link] [CMIME]
279.Ekiz, H. E.; Lach, T.; Averback, R. S.; Mara, N A; Beyerlein, I J; Pouryazdan, M.; Hahn, H.; and Bellon, P.  Microstructural Evolution of Nanolayered Cu-Nb Composites Subjected to High Pressure Torsion  Acta Materialia, , (2014).  [DOI:External link] [CMIME]
280.Fensin, S J; Escobedo, J. P.; Brandl, C.; Cerreta, E K; Gray III, G. T.; Germann, T. C.; and Valone, S M  Effect of Loading Direction on Grain Boundary Failure Under Shock Loading  Acta Materialia, 64, 113-122 (2014).  [DOI:External link] [CMIME]
281.Fu, E G; Fang, Y. Z.; Zhuo, M J; Zheng, S J; Bi, Z.; Wang, Y Q; Tang, Ming; Ding, Xifeng; Han, W Z; Luo, H. B. ; Baldwin, J K; Misra, A; and Nastasi, Michael  Interface structure of Nb films on single crystal MgO(100) and MgO(111) substrates  Acta Materialia, 64, 100-112 (2014).  [DOI: 10.1016/j.actamat.2013.11.031External link] [CMIME]
282.Han, W Z; Cerreta, E K; Mara, N A; Beyerlein, I J; Carpenter, J S; Zheng, S J; and Misra, A  Deformation and failure of shocked bulk Cu-Nb nanolaminates  Acta Mater., 63, 150-161 (2014).  [DOI:External link] [CMIME]
283.Hunter, A; and Beyerlein, I J  Stacking fault emission from grain boundaries: material dependencies and grain size effects  Materials Science and Engineering A, 600, 200-210 (2014).  [DOI:External link] [CMIME]
284.Knezevic, M; Nizolek, T; Ardeljan, M; Beyerlein, I J; Mara, N A; and Pollock, T M  Texture evolution in two-phase Zr/Nb lamellar composites during accumulative roll bonding  International Journal of Plasticity, , in press (2014).  [DOI:External link] [CMIME]
285.Liu, X.; Nuhfer, N. T.; Rollett, A. D.; Sinha, S; Lee, S. B.; Carpenter, J S; LeDonne, J. E.; Darbal, A; and Barmak, K  Interfacial orientation and misorientation relationships in nanolamellar Cu/Nb composites using transmission-electron-microscope-based orientation and phase mapping  Acta Materialia, 64, 333-344 (2014).  [DOI: 10.1016/j.actamat.2013.10.046External link] [CMIME]
286.Mara, N A; and Beyerlein, I J  Review: Effect of bimetal interface structure on the mechanical behavior of Cu/Nb nano layered composites  Journal of Material Science, , (2014).  [DOI:External link] [CMIME]
287.Mayeur, J; Beyerlein, I J; Bronkhorst, C A; and Mourad, H M  A crystal plasticity study of the influence of grain interactions on the plastic stability of heterophase interfaces in Cu-Nb lamellar composites  Materials, 7, 302-322 (2014).  [DOI:External link] [CMIME]
288.McCabe, R J; Beyerlein, I J; Carpenter, J S; and Mara, N A  The critical role of grain orientation and applied stress for nanoscale twinning  Nature Communications, , (2014).  [DOI:External link] [CMIME]
289.Valone, S M; Atlas, S; and Baskes, M I  Fragment Hamiltonian Model Potential for Nickel: Metallic Character and Defects in Crystalline Lattices  Modelling and Simulation in Mater. Sci. and Eng., 22, in press (2014).  [DOI:External link] [CMIME]
290.Wang, J.; Zhang, R F; Zhou, C Z; Beyerlein, I J; and Misra, A  Interface Dislocation Patterns and Dislocation Nucleation in Face-centered-cubic and Body-centered-cubic Bi-crystal Interfaces  International Journal of Plasticity, 53, 40-55 (2014).  [DOI:External link] [CMIME]
291.Zheng, S J; Carpenter, J S; McCabe, R J; Beyerlein, I J; and Mara, N A  Engineering Stable Interfaces in Bulk Nanostructured Metals  Scientific Reports (Nature Publishing Group), 4, 4226 (2014).  [DOI: 10.1038/srep04226External link] [CMIME]
292.Zhou, J; Averback, R. S.; and Bellon, P.  Stability and amorphization of Cu-Nb interfaces during severe plastic deformation: Molecular dynamics simulations of simple shear  Acta Materialia, 64, (2014).  [DOI:External link] [CMIME]
293.Ahmed, Karim; Pakarinen, Janne; Allen, Todd R.; and El-Azab, Anter  Phase field simulation of grain growth in porous uranium dioxide  Journal of Nuclear Materials, 446, Issues 1-3, 90-99 (2014).  [DOI: 10.1016/j.jnucmat.2013.11.036External link] [CMSNF]
294.Barr, Christopher M.; Vetterick, Gregory A.; Unocic, Kinga A.; Hattar, Khalid; Bai, Xian-Ming; and Taheri, Mitra L.  Anisotropic Radiation Induced Segregation in 316L Austenitic Stainless Steel with Grain Boundary Character  Acta Materialia, 67, 145-155 (2014).  [DOI: 10.1016/j.actamat.2013.11.060External link] [CMSNF]
295.Cahill, David G.; Braun, Paul V.; Chen, Gang; Clarke, David R.; Fan, Shanhui; Goodson, Kenneth E.; Keblinski, Pawel; King, William P.; Mahan, Gerald D.; Majumdar, Arun; Maris, Humphrey J.; Phillpot, Simon R. ; Pop, Eric; and Shi, Li  Nanoscale thermal transport II  Applied Physics Reviews, 1, 011305 (2014).  [DOI: 10.1063/1.4832615External link] [CMSNF]
296.Chernatynskiy, Aleksandr; El-Azab, Anter ; Tulenko, James S. ; and Phillpot, Simon R.  Simulation of the Thermal Transport Properties of UO2: Recent Progress and Current Challenges  IAEA Report on Simulation of UO2 Fuel, In Press, (2014).  [DOI:External link] [CMSNF]
297.Deng, Bowen; Chernatynskiy, Aleksandr; Khafizov, Marat ; Hurley, David H. ; and Phillpot, Simon R.  Kapitza resistance of Si/SiO2 interface  Journal of Applied Physics, 115, 084910 (2014).  [DOI: 10.1063/1.4867047External link] [CMSNF]
298.El-Azab, Anter ; Ahmed, Karim; Rokkam, Srujan; and Hochrainer, Thomas  Diffuse interface modeling of void growth in irradiated materials. Mathematical, thermodynamics and atomistic perspectives  Current Opinion in Solid State and Materials Science, , (2014).  [DOI: 10.1016/j.cossms.2014.01.002External link] [CMSNF]
299.Hassan, Abdel-Rahman; Manuel, Michele; and El-Azab, Anter  Electrochemical Effects of Isolated Voids in Uranium Dioxide  Journal of Physics and Chemistry of Solids, 75, 550-557 (2014).  [DOI: 10.1016/j.jpcs.2013.12.017External link] [CMSNF]
300.He, Lingfeng ; Pakarinen, Janne; Kirk, Marquis A.; Gan , Jian ; Nelson, Andrew; El-Azab, Anter ; and Allen , Todd R.  Microstructure evolution in Xe-irradiated UO2 at room temperature  Nuclear Instruments and Methods in Physics Research B, 330, 55-60 (2014).  [DOI: 10.1016/j.nimb.2014.03.018External link] [CMSNF]
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