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 August 19, 2013.

201.Zhang, H.; Hawkes, E. R.; Chen, J. H.; and Kook, S.  A numerical study of the autoignition of dimethyl ether with temperature inhomogeneities  Proc. Combust. Inst, 34, 803-812 (2013).  [DOI: 10.1016/j.proci.2012.07.026External link] [CEFRC]
202.Zheng, J.; Seal, P.; and Truhlar, D. G.  Role of Conformational Structures and Torsional Anharmonicity in Controlling Chemical Reaction Rates and Relative Yields: Butanal + HO2 Reactions  Chemical Science, 4, 200-212 (2013).  [DOI: 10.1039/c2sc21090hExternal link] [CEFRC]
203.Zheng, J.; and Truhlar, D. G.  Quantum Thermochemistry: Multi-Structural Method with Torsional Anharmonicity Based on a Coupled Torsional Potential  Journal of Chemical Theory and Computation, 9, 1356-1367 (2013).  [DOI: 10.1021/ct3010722External link] [CEFRC]
204.Zhou, C. W.; Klippenstein, S. J.; Simmie, J. M.; and Curran, H. J.  Theoretical kinetics for the decomposition of iso-butanol and related (CH3)2CH + CH2OH reactions  Proc. Combust. Inst, 34, 501-509 (2013).  [DOI:External link] [CEFRC]
205.Hattori, Shinnosuke; Mou, Weiwei; Rajak, P; Shimojo, Fuyuki; and Nakano, Aiichiro  Interfacial design for reducing charge recombination in photovoltaics  Applied Physics Letters, 102(9), 093302: 1-5 (2013).  [DOI: 10.1063/1.4794983External link] [CEN]
206.Hu, Shu; Chi, Chun-Yung; Fountaine, Katherine T.; Yao, Maoqing; Atwater, Harry A.; Dapkus, P. Daniel; Lewis, Nathan S.; and Zhou, Chongwu  Optical, electrical, and solar energy-conversion properties of gallium arsenide nanowire-array photoanodes  Energy Environ. Sci., Advance Article, (2013).  [DOI: 10.1039/C3EE40243FExternal link] [CEN]
207.Li, Kejia; Khlyabich, Petr P.; Burkhart, Beate; Thompson, Barry C.; and Campbell, Joe C.  INFLUENCE OF EXCITON DIFFUSION AND CHARGE-TRANSFER STATE DISSOCIATION EFFICIENCY ON THE SHORT-CIRCUIT CURRENT DENSITIES IN SEMI-RANDOM DONOR/ACCEPTOR POLYMER:FULLERENE SOLAR CELLS  J. Phys. Chem C, 117(4), 6940-6948 (2013).  [DOI: 10.1021/jp311930mExternal link] [CEN]
208.Rudenko, Andrey; Wiley, Calvin A; Tannaci, John F; and Thompson, Barry C.  OPTIMIZATION OF DIRECT ARYLATION POLYMERIZATION (DARP) CONDITIONS FOR THE SYNTHESIS OF P3HT  J. Polym. Sci., Part A: Polym. Chem., Early View, (2013).  [DOI: 10.1002/pola.26655External link] [CEN]
209.Street, R. A.; Davies, D; Khlyabich, Petr P.; Burkhart, Beate; and Thompson, Barry C.  ORIGIN OF THE TUNABLE OPEN CIRCUIT VOLTAGE IN TERNARY BLEND ORGANIC SOLAR CELLS  J. Am. Chem Soc., 135, 986-989 (2013).  [DOI: 10.1021/ja3112143External link] [CEN]
210.Zhong, Qiwen; Diev, Vyacheslav V.; Roberts, Sean T.; Antunez, Priscilla; Brutchey, Richard L.; Bradforth, Stephen E.; and Thompson, Mark E.  Fused Porphyrin-Single-Walled Carbon Nanotube Hybrids: Efficient Formation and Photophysical Characterization  ACS Nano, 7(4), 3466–3475 (2013).  [DOI: 10.1021/nn400362eExternal link] [CEN]
211.Allan, M.P.; Chuang, T-M. ; Massee, F.; Yang, X.; Ni, N.; Budko, S.L.; Boebinger, G.S.; Wang, Q.; Dessau, D.S.; Canfield, P.C.; Golden, M.S.; and Davis, J.C.  Anisotropic impurity states, quasiparticle scattering and nematic transport in underdoped Ca(Fe{1-x}Co{x}){2}As{2}  Nature Physics, 9, 220-224 (2013).  [DOI: 10.1038/nphys2544External link] [CES]
212.Dave, Kiaran; Phillips, Philip; and Kane, Charles  Absence of Luttinger’s Theorem due to Zeros in the Single-Particle Green Function  Physical Review Letters, 110, 090403 (2013).  [DOI: 10.1103/PhysRevLett.110.090403External link] [CES]
213.Dean, M.P.M.; James, A.J.A.; Springell, R.S.; Mooney, C.; Liu, X.; Zhou, K.J.; Konik, R.M.; Wen, J.S.; Xu, Z.J.; Gu, G.D.; Strocov, V.N.; Schmitt, T.; and Hill, J.P.  High-energy magnetic excitations in the cuprate superconductor Bi{2}Sr{2}CaCu{2}O{8+delta}: Towards a unified description of its electronic and magnetic degrees of freedom  Phys. Rev. Lett, 110, 147001 (2013).  [DOI: 10.1103/PhysRevLett.110.147001External link] [CES]
214.Salovich, N.W.; Kim, H.; Ghosh, A.K.; Giannetta, R.W.; Kwok, W.; Welp, U.; Shen, B.; Zhu, S.; Wen, H.-H.; Tanatar, M.A.; and Prozorov, R.  Effect of heavy-ion irradiation on superconductivity in Ba{0.6}K{0.4}Fe{2}As{2}  Phys. Rev. B, 87, 180502(R) (2013).  [DOI: 10.1103/PhysRevB.87.180502External link] [CES]
215.Stanev, V.; and Littlewood, P.B.  Nematicity driven by hybridization in iron-based superconductors  Phys. Rev. B, 87, 161122(R) (2013).  [DOI: 10.1103/PhysRevB.87.161122External link] [CES]
216.Stengen, Z.; Han, Su Jung; Wu, Jie; Gu, Genda; Hucker, Markus; Li, Qiang; Park, J.H.; Boebinger, G.S.; and Tranquada, John  Evolution of superconducting correlations within magnetic-field-decoupled La{2-x}Ba{x}CuO{4}(x=0.095)  Physical Review B, 87, 064509 (2013).  [DOI: 10.1103/PhysRevB.87.064509External link] [CES]
217.Crabtree, Robert H  Abnormal, Mesoionic and Remote N-H heterocyclic Carbene Complexes  Coord. Chem. Rev., 257, 755-766 (2013).  [DOI: 10.1016/j.ccr.2012.09.006External link] [CETM]
218.Eisenstein, Odile; and Crabtree, Robert H  Outer sphere hydrogenation catalysis   New J. Chem., 37, 21-27 (2013).  [DOI: 10.1039/C2NJ40659DExternal link] [CETM]
219.Habib, Fatemah; Luca, Oana R; Vieru, Veacheslav; Shiddiq, Muhandis ; Korobkov, Ilia; Gorelsky, Serge I. ; Takase, Michael K; Chibotaru, Liviu F. ; Hill, Stephen; Crabtree, Robert H; and Murugesu, Muralee  Influence of the Ligand Field on Slow Magnetization Relaxation versus Spin Crossover in Mononuclear Cobalt Complexes  Angew. Chem. Int. Ed., , (2013).  [DOI: 10.1002/anie.201303005External link] [CETM]
220.Luca, Oana R; Konezny, Steven J; Paulson, Eric K.; Habib, Fatemah; Luthy, Kurt M.; Murugesu, Muralee; Crabtree, Robert H; and Batista, Victor S.  Study of an S = 1 Ni(II) pincer electrocatalyst precursor for aqueous hydrogen production based on paramagnetic 1H NMR  Dalton Transactions, 42, 8802-8807 (2013).  [DOI: 10.1039/c3dt50528fExternal link] [CETM]
221.Luca, Oana R; Huang, Dana; Takase, Michael K; and Crabtree, Robert H  A redox-active cyclopentadienyl Ni complexes with quinoid N-heterocyclic carbene ligands for the electrocatalytic hydrogen release from chemical fuels  New Journal of Chemistry, , (2013).  [DOI: 10.1039/c3nj00276dExternal link] [CETM]
222.Luca, Oana R; Thompson, Bennett A; Takase, Michael K; and Crabtree, Robert H  Synthesis and Electrochemistry of a Series of Cyclopentadienyl Ni N-Heterocyclic Carbene Compounds  J. Organomet. Chem., 730, 79-83 (2013).  [DOI: 10.1016/j.jorganchem.2012.10.038External link] [CETM]
223.Luca, Oana R; and Crabtree, Robert H  Redox-Active Ligands in Catalysis  Chem. Soc. Rev., 42, 1446-1459 (2013).  [DOI: 10.1039/C2CS35228AExternal link] [CETM]
224.Peters, Andrea; Rainka, Matthew P.; Krishnan, Lakshmi; Laramie, Sydney; Dodd, Matthew; and Reimer, Jeffrey A.  Electrochemical Characterization of Hydrogen-Bonding Complexation Between Indoline and Nitrogen Containing Bases   J. Electroanal. Chem., , (2013).  [DOI: 10.1016/j.jelechem.2012.12.006External link] [CETM]
225.Rainka, Matthew P.; Peters, Andrea; and Soloveichik, Grigorii  Base Effects on Electrochemical Oxidation of Indoline  Int. J. Hydrogen Energy, 38, 3773-3777 (2013).  [DOI: 10.1016/j.ijhydene.2011.12.009External link] [CETM]
226.Stenehjem, Eric D.; Ziatdinov, Vadim R.; Stack, T. Daniel P.; and Chidsey, Christopher E. D.  Gas-Phase Azide Functionalization of Carbon  J. Amer. Chem. Soc., 135, 1110-1116 (2013).  [DOI: 10.1021/ja310410dExternal link] [CETM]
227.Arbogast, Todd; and Xiao, Hailong  A Multiscale Mortar Mixed Space Based on Homogenization for Heterogeneous Elliptic Problems  SIAM J. Sci. Comput., 51, 377-399 (2013).  [DOI: 10.1137/120874928External link] [CFSES]
228.Chaudhary, Kuldeep; Cardenas, M. Bayani; Deng, W.; and Bennett, Phillip C.  Pore geometry effects on intrapore viscous to inertial flows and on effective hydraulic parameters  Water Resour. Res., 49, 1-14 (2013).  [DOI: 10.1002/wrcr.20099External link] [CFSES]
229.Criscenti, Louise J; and Cygan, Randall T  Molecular Simulations of Carbon Dioxide and Water: Cation Solvation  Environmental Science and Technology, 47, 87-94 (2013).  [DOI: 10.1021/es301608cExternal link] [CFSES]
230.Delshad, Mojdeh; Kong, Xianhui; Tavakoli, Reza; Hosseini, Seyyed A; and Wheeler, Mary F.  Modeling and simulation of carbon sequestration at Cranfield incorporating new physical models  International Journal of Greenhouse Gas Control, , (2013).  [DOI: 10.1016/j.ijggc.2013.03.019External link] [CFSES]
231.Fanizza, Michael F.; Yoon, Hongkyu; Zhang, Changyong; Oostrom, Martinus; Wietsma, Thomas W.; Hess, Nancy J.; Bowden, Mark E.; Strathmann, Timothy J.; Finneran, Kevin T.; and Werth, Charles J.  Pore-scale evaluation of uranyl phosphate precipitation in a model groundwater system  Water Resour. Res., 49, 874-890 (2013).  [DOI: 10.1002/wrcr.20088External link] [CFSES]
232.Martinez, Mario J.; Newell, P; Bishop, J. E.; and Turner, D Z  Coupled multiphase flow and geomechanics model for analysis of joint reactivation during CO2 sequestration operations  International Journal of Greenhouse Gas Control, 17, 148-160 (2013).  [DOI: 10.1016/j.ijggc.2013.05.008External link] [CFSES]
233.Myshakin, Evgeniy M.; Saidi, Wissam A.; Romanov, Vyacheslav N.; Cygan, Randall T.; and Jordan, Kenneth D.  Molecular Dynamics Simulations of Carbon Dioxide Intercalation in Hydrated Na-Montmorillonite  Journal of Physical Chemistry, 117, 11028-11039 (2013).  [DOI: 10.1021/jp312589sExternal link] [CFSES]
234.Pencheva, Gergina; Vohralík, Martin; Wheeler, Mary F.; and Wildey, Tim  Robust a Posteriori Error Control and Adaptivity for Multiscale, Multinumerics, and Mortar Coupling  SIAM J. Sci. Comput., 51, 526-554 (2013).  [DOI: 10.1137/110839047External link] [CFSES]
235.Santillan, Eugenio F.U.; Kirk, Matthew F.; Altman, Susan J.; and Bennett, Phillip C.  Mineral influence on microbial survival during carbon sequestration  Geomicrobiol. J., , (2013).  [DOI: 10.1080/01490451.2013.767396External link] [CFSES]
236.Worthen, Andrew J; Bagaria, Hitesh G; Chen, Yunshen; Bryant, S. L.; Huh, Chun; and Johnston, Keith P  Nanoparticle-stabilized carbon dioxide-in-water foams with fine texture  J. Colloid and Interface Science, 391, 142 - 151 (2013).  [DOI: 10.1016/j.jcis.2012.09.043External link] [CFSES]
237.Yoon, Hongkyu; Hart, David B.; and McKenna, Sean A.  Parameter estimation and predictive uncertainty in stochastic inverse modeling of groundwater flow: Comparing null-space Monte Carlo and multiple starting point methods  Water Resour. Res., 49, 536–553 (2013).  [DOI: 10.1002/wrcr.20064External link] [CFSES]
238.Zhang, Rui; Sen, Mrinal K; and Srinivasan, Sanjay  A prestack basis pursuit seismic inversion  Geophysics, 78, R1 - R11 (2013).  [DOI: 10.1190/geo2011-0502.1External link] [CFSES]
239.Geier, Stephen J.; Mason, Jarad A; Bloch, Eric D; Queen, Wendy L; Hudson, Matthew R; Brown, Craig M; and Long, Jeffrey R  Selective adsorption of ethylene over ethane and propylene over propane in the metal–organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Zn)  Chem. Sci., 4, 2054-2061 (2013).  [DOI: 10.1039/c3sc00032jExternal link] [CGS]
240.Ghysels, An R.; Vanduyfhuys, Louis; Vandichel, Matthias; Waroquier, Michel; Van Speybroeck, Veronique; and Smit, Berend  On the Thermodynamics of Framework Breathing: A Free Energy Model for Gas Adsorption in MIL-53  J. Phys. Chem C, , (2013).  [DOI: 10.1021/jp311601qExternal link] [CGS]
241.Herm, Zoey R; Wiers, Brian M.; Mason, Jarad A; van Baten, Jasper M; Hudson, Matthew R; Zajdel, Pawel; Brown, Craig M; Masciocchi, Norberto; Krishna, Rajamani; and Long, Jeffrey R  Separation of Hexane Isomers in a Metal-Organic Framework with Triangular Channels  Science, 340, 960-964 (2013).  [DOI: 10.1126/science.1234071External link] [CGS]
242.Kim, Jihan; Maiti, Amitesh; Lin, Li-Chiang; Stolaroff, Joshuah K.; Smit, Berend; and Aines, Roger D.  New materials for methane capture from dilute and medium-concentration sources  Nature Communications, 4, 1694 (2013).  [DOI: 10.1038/ncomms2697External link] [CGS]
243.Kim, Jihan; Abouelnasr, Mahmoud K.F.; Lin, Li-Chiang; and Smit, Berend  Large-scale Screening of Zeolite Structures for CO2 Membrane Separations   J. Am. Chem Soc., , (2013).  [DOI: 10.1021/ja400267gExternal link] [CGS]
244.Li, Jian-Rong; Yu, Jiamei; Lu, Weigang; Sun, Lin-Bing; Sculley, Julian; Balbuena, Perla B; and Zhou, Hong-Cai  Porous materials with pre-designed single-molecule traps for CO2 selective adsorption  Nature Communications, 4, 1538 (2013).  [DOI: 10.1038/ncomms2552External link] [CGS]
245.Lin, Li-Chiang; Kim, Jihan; Kong, Xueqian; Scott, Eric; McDonald, Thomas M; Long, Jeffrey R; Reimer, Jeffrey A.; and Smit, Berend  Understanding CO2 Dynamics in Metal–Organic Frameworks with Open Metal Sites  Angew. Chem. Int. Ed., 52, 4410–4413 (2013).  [DOI: 10.1002/anie.201300446External link] [CGS]
246.Liu, Yangyang; Li, Jian-Rong; Verdegaal, Wolgang M.; Liu, Tian-Fu; and Zhou, Hong-Cai  Isostructural Metal–Organic Frameworks Assembled from Functionalized Diisophthalate Ligands through a Ligand-Truncation Strategy  Chem. Eur. J., 19, 5637–5643 (2013).  [DOI: 10.1002/chem.201203297External link] [CGS]
247.Lu, Weigang; Sculley, Julian; Yuan, Daqiang; Krishna, Rajamani; and Zhou, Hong-Cai  Carbon Dioxide Capture from Air Using Amine-Grafted Porous Polymer Networks  J. Phys. Chem. C, 117, 4057–4061 (2013).  [DOI: 10.1021/jp311512qExternal link] [CGS]
248.Lu, Weigang; Yuan, Daqiang; Makal, Trevor A; Wei, Zhangwen; Li, Jian-Rong; and Zhou, Hong-Cai  Highly porous metal–organic framework sustained with 12-connected nanoscopic octahedra  Dalton Trans., 42, 1708-1714 (2013).  [DOI: 10.1039/c2dt32479bExternal link] [CGS]
249.Martin, Richard L.; Lin, Li-Chiang; Jariwala, Kuldeep; Smit, Berend; and Haranczyk, Maciej  Mail-Order Metal–Organic Frameworks (MOFs): Designing Isoreticular MOF-5 Analogues Comprising Commercially Available Organic Molecules  J. Phys. Chem C, , (2013).  [DOI: 10.1021/jp401920yExternal link] [CGS]
250.Mezger, Markus; Ocko, Benjamin M.; Reichert, Harald; and Deutsche, Moshe  Surface layering and melting in an ionic liquid studied by resonant soft X-ray reflectivity  PNAS, 110, 3733–3737 (2013).  [DOI: 10.1073/pnas.1211749110External link] [CGS]
251.Pinheiro, Marielle; Martin, Richard L.; Rycroft, Chris; Jones, Andrew; Iglesia, Enrique; and Haranczyk, Maciej  Characterization and comparison of pore landscapes in crystalline porous materials  J. Mol. Graphics Modell., , (2013).  [DOI: 10.1016/j.jmgm.2013.05.007External link] [CGS]
252.Planas, Nora; Dzubak, Allison; Poloni, Roberta; Lin, Li-Chiang; McManus, Alison; McDonald, Thomas M; Neaton, Jeffrey B.; Long, Jeffrey R; Smit, Berend; and Gagliardi, Laura  The Mechanism of Carbon Dioxide Adsorption in an Alkylamine-Functionalized Metal-Organic Framework  J. Am. Chem Soc., , (2013).  [DOI: 10.1021/ja4004766External link] [CGS]
253.Ruiz, Luis; VonAchen, Paige; Lazzara, Thomas D.; Xu, Ting; and Keten, Sinan  Persistence length and stochastic fragmentation of supramolecular nanotubes under mechanical force  Nanotechnology, 24, 195103 (2013).  [DOI: 10.1088/0957-4484/24/19/195103External link] [CGS]
254.Sculley, Julian; Verdegaal, Wolgang M.; Lu, Weigang; Wriedt, Mario; and Zhou, Hong-Cai  High-Throughput Analytical Model to Evaluate Materials for Temperature Swing Adsorption Processes  Adv. Mater., , (2013).  [DOI: 10.1002/adma.201204695External link] [CGS]
255.Swisher, Joseph A.; Lin, Li-Chiang; Kim, Jihan; and Smit, Berend  Evaluating mixture adsorption models using molecular simulation  AIChE J., , (2013).  [DOI: 10.1002/aic.14058External link] [CGS]
256.Wei, Zhangwen; Lu, Weigang; Jiang, Hai-Long; and Zhou, Hong-Cai  A Route to Metal–Organic Frameworks through Framework Templating  Inorg. Chem., 52, 1164–1166 (2013).  [DOI: 10.1021/ic3019937External link] [CGS]
257.Wriedt, Mario; Yakovenko, Andrey A; Halder, Gregory J,; Prosvirin, Andrey V.; Dunbar, Kim R.; and Zhou, Hong-Cai  Reversible Switching from Antiferro- to Ferromagnetic Behavior by Solvent-Mediated, Thermally-Induced Phase Transitions in a Trimorphic MOF-Based Magnetic Sponge System  J. Am. Chem Soc., 135, 4040−4050 (2013).  [DOI: 10.1021/ja312347pExternal link] [CGS]
258.Yakovenko, Andrey A; Reibenspies, Joseph H.; Bhuvanesh, Nattamai; and Zhou, Hong-Cai  Generation and applications of structure envelopes for porous metal–organic frameworks  J. Appl. Cryst., 46, (2013).  [DOI: 10.1107/S0021889812050935External link] [CGS]
259.Yan, Fangyong; Lartrey, Michael; Damodaran, Krishnan; Albenze, Erik; Thompson, Robert L.; Kim, Jihan; Haranczyk, Maciej; Nulwala, Hunaid B.; Luebke, David R.; and Smit, Berend  Understanding the effect of side groups in ionic liquids on carbon-capture properties: a combined experimental and theoretical effort  Phys. Chem. Chem. Phys., 15, 3264-3272 (2013).  [DOI: 10.1039/C3CP43923BExternal link] [CGS]
260.Cao, Yue; Waugh, J. A. ; Zhang, X. W.; Luo, Jun-Wei; Wang, Q.; Reber, T. J.; Mo, S. K.; Xu, Z.; Yang, A.; Schneeloch, J.; Gu, G; Brahlek, M.; Bansal, N. ; Oh, S.; Zunger, Alex; and Dessau, D. S.  Mapping the Orbital Wavefunction of the Surface States in 3D Topological Insulators  Nat. Phys., Accepted, (2013).  [DOI:External link] [CID]
261.Lany, Stephan  Band-structure calculations for the 3d transition metal oxides in GW  Physical Review B, 87, 085112 (2013).  [DOI: 10.1103/PhysRevB.87.085112External link] [CID]
262.Peng, Haowei; Zakutayev, Andriy; Lany, Stephan; Paudel, Tula; dAvezac, Mayeul ; Ndione, Paul F.; Perkins, John D.; Nagaraja, Arpun R.; Perry, Nicola H.; Ginley, David S.; Mason, Thomas O.; and Zunger, Alex  Li-doped Cr2MnO4: A new p-type transparent conducting oxide by Computational Materials Design  Adv. Funct. Mater., Accepted, (2013).  [DOI:External link] [CID]
263.Raw, Adam; Ibers, J. A.; and Poeppelmeier, Kenneth R.  Improved synthesis and characterization of the copper Lyonsite-type compound Cu4−xMo3O12  J. Solid State Chem., 200, 165-169 (2013).  [DOI: 10.1016/j.jssc.2013.01.017External link] [CID]
264.Zakutayev, Andriy; Zhang, Xiuwen; Nagaraja, Arpun R.; Yu, Liping; Lany, Stephan; Mason, Thomas O.; Ginley, David S.; and Zunger, Alex  Theoretical Prediction and Experimental Realization of New Stable V-IX-IV Semiconductors using the Inverse Design Approach  J. Am. Chem. Soc., Accepted, (2013).  [DOI:External link] [CID]
265.Zakutayev, Andriy; Luciano, F. J.; Sigdel, Ajaya K.; Ndione, Paul F.; Bollinger, P.; Perkins, John D.; Berry, Joseph J.; Parilla, Philip A.; and Ginley, David S.  Development and Application of an Instrument for Spatially Resolved Seebeck Coefficient Measurements  Rev. Sci. Instrum., Accepted, (2013).  [DOI:External link] [CID]
266.Bulusu, Anuradha; Paniagua, Sergio A.; MacLeod, Bradley A.; Sigdel, Ajaya K.; Berry, Joseph J.; Olson, Dana C.; Marder, Seth R.; and Graham, Samuel  Efficient Modification of Metal Oxide Surfaces With Phosphonic Acids, By Spray Coating  Langmuir, 29(12), 3935–3942 (2013).  [DOI: 10.1021/la303354tExternal link] [CISSEM]
267.Bulusu, Anuradha; Kim, Hyungchul; Samet, David; and Graham, Samuel  Improving the stability of atomic layer deposited alumina films in aqueous environments with metal oxide capping layers  J. Phys. D: Appl. Phys., 46(8), 084014 (2013).  [DOI: 10.1088/0022-3727/46/8/084014External link] [CISSEM]
268.Cocilovo, B.; Amooali, A; Lopez-Santiago, A.; Favela, Jacob; Islam, S.; Duong, Binh; Gangopadhyay, Palash; Fallahi, M.; Pemberton, Jeanne E.; Thomas, Jayan; and Norwood, Robert A.  The Effect of Modular Diffraction Gratings on Absorption in P3HT:PCBM Layers  Appl. Opt., 52(5), 1025-1034 (2013).  [DOI: 10.1364/AO.52.001025External link] [CISSEM]
269.Gantz, Jeremy; Placencia, Diogenes; Giordano, Anthony J.; Marder, Seth R.; and Armstrong, Neal R.  Influence of Electrode Surface Composition and Energetics on Small-Molecule Organic Solar Cell Performance: Polar Versus Non-Polar Donors on ITO Contacts  J. Phys. Chem. C, 117 (3), 1205–1216 (2013).  [DOI: 10.1021/jp307546vExternal link] [CISSEM]
270.Gershon, Talia S.; Sigdel, Ajaya K.; Marin, Andrew T.; van Hest, Maikel F.A.M.; Ginley, David S.; Friend, Richard H.; MacManus-Driscoll, Judith L.; and Berry, Joseph J.  Improved fill factors in solution-processed ZnO/Cu2O photovoltaics  Thin Solid Films, 536, 280-285 (2013).  [DOI: 10.1016/j.tsf.2013.03.041External link] [CISSEM]
271.Gliboff, Matthew; Li, Hong; Knesting, Kristina M.; Giordano, Anthony J.; Nordlund, Dennis; Seidler, Gerald T; Brédas, Jean-Luc; Marder, Seth R.; and Ginger, David S.  Competing Effects of Fluorination on the Orientation of Aromatic and Aliphatic Phosphonic Acid Monolayers on Indium Tin Oxide  J. Phys. Chem. C, , Just Accepted Manuscript (2013).  [DOI: 10.1021/jp404033eExternal link] [CISSEM]
272.Gliboff, Matthew; Sang, Lingzi; Knesting, Kristina M.; Schalnat, Matthew C.; Mudalige, Anoma; Ratcliff, Erin L.; Li, Hong; Sigdel, Ajaya K.; Giordano, Anthony J.; Berry, Joseph J.; Nordlund, Dennis; Seidler, Gerald T; Brédas, Jean-Luc; Marder, Seth R.; Pemberton, Jeanne E.; and Ginger, David S.  Orientation of Phenylphosphonic Acid Self-Assembled Monolayers on a Transparent Conductive Oxide: A Combined NEXAFS, PM-IRRAS, and DFT Study  Langmuir, 29(7), 2166-2174 (2013).  [DOI: 10.1021/la304594tExternal link] [CISSEM]
273.Ilyas, Nahid; Kelly, Leah L.; and Monti, Oliver L.A.  Electronic Structure and Dynamics of Quasi-2D States of Vanadyl Naphthalocyanine on Au (111)  Mol. Phys., , latest articles (2013).  [DOI: 10.1080/00268976.2013.794981External link] [CISSEM]
274.Khosroabadi, Akram Amooali; Gangopadhyay, Palash; Duong, Binh; Thomas, Jayan; Sigdel, Ajaya K.; Berry, Joseph J.; Gennett, Thomas; Peyghambarian, Nasser; and Norwood, Robert A.  Fabrication, electrical and optical properties of silver, indium tin oxide (ITO), and indium zinc oxide (IZO) nanostructure arrays  Phys. Status Solidi A, 210(5), 831–838 (2013).  [DOI: 10.1002/pssa.201329129External link] [CISSEM]
275.Kim, Eung-Gun; and Brédas, Jean-Luc  The nature of the aluminum–aluminum oxide interface: A nanoscale picture of the interfacial structure and energy-level alignment  Org. Electron., 14(2), 569-574 (2013).  [DOI: 10.1016/j.orgel.2012.11.028External link] [CISSEM]
276.Matz, Dallas L.; Ratcliff, Erin L.; Meyer, Jens; Kahn, Antoine; and Pemberton, Jeanne E.  Deciphering the Metal-C60 Interface in Optoelectronic Devices: Evidence for C60 Reduction by Vapor Deposited Al  ACS Appl. Mater. Interfaces, , Article ASAP (2013).  [DOI: 10.1021/am400640xExternal link] [CISSEM]
277.Ndione, Paul F.; Garcia, Andres; Widjonarko, N. Edwin; Sigdel, Ajaya K.; Steirer, K. Xerxes; Olson, Dana C.; Parilla, Philip A.; Ginley, David S.; Armstrong, Neal R.; Richards, Robin E.; Ratcliff, Erin L.; and Berry, Joseph J.  Highly-Tunable Nickel Cobalt Oxide as a Low-Temperature P-Type Contact in Organic Photovoltaic Devices  Adv. Energy Mater., 3(4), 524–531 (2013).  [DOI: 10.1002/aenm.201200742External link] [CISSEM]
278.Ou, Kai-Lin; Tadytin, Delvin; Steirer, K. Xerxes; Placencia, Diogenes; Nguyen, Michael; Lee, Paul A.; and Armstrong, Neal R.  Titanium Dioxide Electron-Selective Interlayers Created by Chemical Vapor Deposition for Inverted Configuration Organic Solar Cells  J. Mater. Chem. A, 1(23), 6794-6803 (2013).  [DOI: 10.1039/C3TA10894EExternal link] [CISSEM]
279.Papadopoulos, Theodoros; Meyer, Jens; Li, Hong; Guan, Ze-Lei; Kahn, Antoine; and Brédas, Jean-Luc  Nature of the Interfaces Between Stoichiometric and Under-Stoichiometric MoO3 and 4,4'-N,N'-dicarbazole-biphenyl: A Combined Theoretical and Experimental Study  Adv. Funct. Mater., , Early View (2013).  [DOI: 10.1002/adfm.201301466External link] [CISSEM]
280.Ratcliff, Erin L.; Bakus II, Ronald C.; Welch, Greg; van der Poll, T. S.; Garcia, Andres; Cowan, Sarah; MacLeod, Bradley A.; Ginley, David S.; Bazan, Guillermo C.; and Olson, Dana C.  Formation of interfacial traps upon surface protonation in small molecule solution processed bulk heterojunctions probed by photoelectron spectroscopy  J. Mater. Chem. C, , Accepted Manuscript (2013).  [DOI: 10.1039/C3TC31064GExternal link] [CISSEM]
281.Ratcliff, Erin L.; Garcia, Andres; Paniagua, Sergio A.; Cowan, Sarah; Giordano, Anthony J.; Ginley, David S.; Marder, Seth R.; Berry, Joseph J.; and Olson, Dana C.  Investigating the Influence of Interfacial Contact Properties on Open Circuit Voltages in Organic Photovoltaic Performance: Work Function Versus Selectivity  Adv. Energy Mater., 3(5), 647–656 (2013).  [DOI: 10.1002/aenm.201200669External link] [CISSEM]
282.Shim, Jae Won; Cheun, Hyeunseok; Dindar, Amir; Kim, Yunsang; Zhou, Yinhua; Fuentes-Hernandez, Canek; Hwang, Do Kyung; Perry, Joseph W.; and Kippelen, Bernard  Indium tin oxide modified by titanium dioxide nanoparticles dispersed in poly(N-vinylpyrrolidone) for use as an electron-collecting layer in organic solar cells with an inverted structure  J. Mater. Res., 28(3), 535-540 (2013).  [DOI: 10.1557/jmr.2012.278External link] [CISSEM]
283.Steirer, K. Xerxes; MacDonald, Gordon A.; Olthof, Selina; Gantz, Jeremy; Ratcliff, Erin L.; Kahn, Antoine; Armstrong, Neal R.; and ,  Energy Level Alignment and Morphology of Ag and Au Nanoparticle Recombination Contacts in Tandem Planar Heterojunction Solar Cells  J. Phys. Chem. C, , Just Accepted (2013).  [DOI: 10.1021/jp402672jExternal link] [CISSEM]
284.Wunsch, Benjamin; Rumi, Mariacristina; Tummala, Naga Rajesh; Risko, Chad; Kang, Dun-Yen; Steirer, K. Xerxes; Gantz, Jeremy; Said, Marcel; Armstrong, Neal R.; Brédas, Jean-Luc; Bucknall, David; and Marder, Seth R.  Structure–processing–property correlations in solution-processed, small-molecule, organic solar cells  J. Mater. Chem. C, , Advance Article (2013).  [DOI: 10.1039/C3TC30774CExternal link] [CISSEM]
285.Zacher, Brian; Gantz, Jeremy; Richards, Robin E.; and Armstrong, Neal R.  Organic Solar Cells–At the Interface  J. Phys. Chem. Lett., 4(11), 1949−1952 (2013).  [DOI: 10.1021/jz4009932External link] [CISSEM]
286.Zhou, Yinhua; Shim, Jae Won; Fuentes-Hernandez, Canek; Khan, Talha M.; and Kippelen, Bernard  Inverted organic solar cells with polymer-modified fluorine-doped tin oxide as the electron-collecting electrode  Thin Solid Films, , In Press, Accepted Manuscript (2013).  [DOI: 10.1016/j.tsf.2013.05.059External link] [CISSEM]
287.Zhou, Yinhua; Fuentes-Hernandez, Canek; Khan, Talha M.; Liu, Jen-Chieh; Hsu, James; Shim, Jae Won; Dindar, Amir; Youngblood, Jeffrey P.; Moon, Robert J.; and Kippelen, Bernard  Recyclable organic solar cells on cellulose nanocrystal substrates  Sci. Rep., 3, 1536 (2013).  [DOI: 10.1038/srep01536External link] [CISSEM]
288.Gu, Jin; and Catchmark, Jeffrey M  The impact of cellulose structure on binding interactions with hemicellulose and pectin  Cellulose, , (2013).  [DOI: 10.1007/s10570-013-9965-8External link] [CLSF]
289.Gu, Jin; Catchmark, Jeffrey M; Kaiser, Edward Q.; and Archibald, Douglas D.  Quantification of cellulose nanowhiskers sulfate esterification levels  Carbohydr. Polym., 92, 1809–1816 (2013).  [DOI: 10.1016/j.carbpol.2012.10.078External link] [CLSF]
290.Iyer, Prashanti R; Liu, Yu-An; Deng, Ying; McManus, John B; Kao, Teh-hui; and Tien, Ming  Processing of cellulose synthase (AcsAB) from Gluconacetobacter hansenii 23769  Arch. Biochem. Biophys., 529, 92-98 (2013).  [DOI: 10.1016/j.abb.2012.12.002External link] [CLSF]
291.Kubicki, James D; Mohamed, Mohamed Naseer Ali; and Watts, Heath D  Quantum mechanical modeling of the structures, energetics and spectral properties of Iα and Iβ cellulose  Cellulose, 20, 9-23 (2013).  [DOI: 10.1007/s10570-012-9838-6External link] [CLSF]
292.Li, Shundai; Lei, Lei; and Gu, Ying   Functional analysis of complexes with mixed primary and secondary cellulose synthases  Plant Signaling Behav., 8(3), e23179 (2013).  [DOI: 10.4161/psb.23179External link] [CLSF]
293.Liu, Yunpeng; Marshall, Jared; Li, Qiong; Edwards, Nicola; and Chen, Gong  Synthesis of novel bivalent mimetic ligands for mannose-6-phosphate receptors  Bioorg. Med. Chem. Lett., 23, 2328–2331 (2013).  [DOI: 10.1016/j.bmcl.2013.02.068External link] [CLSF]
294.Sethaphong, Latsavongsakda; Haigler, Candace H.; Kubicki, James D; Zimmer, Jochen; Bonetta, Dario; DeBolt, Seth; and Yingling, Yaroslava G.  Tertiary model of a plant cellulose synthase  PNAS, , (2013).  [DOI: 10.1073/pnas.1301027110External link] [CLSF]
295.Xiao, Chaowen; and Anderson, Charles T.  Roles of pectin in biomass yield and processing for biofuels  Front. Plant Sci., 4:67, 1-7 (2013).  [DOI: 10.3389/fpls.2013.00067External link] [CLSF]
296.Zamil, M. Shafayet; Haque, M. Aman; Yi, Hojae; and Puri, Virendra M.  Characterizing Microscale Biological Samples under Tensile Loading - Stress-Strain Behavior of Onion Outer Epidermal Cell Wall Fragment  Am. J. Bot., 100(6), 1105-1115 (2013).  [DOI: 10.3732/ajb.1200649External link] [CLSF]
297.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, , (2013).  [DOI: 10.1007/s10570-013-9996-1External link] [CLSF]
298.Zhao, Zhen; Shklyaev, Oleg E; Nili, Abdolmajid; Mohamed, Mohamed Naseer Ali; Kubicki, James D; Crespi, Vincent H.; and Zhong, Linghao  Cellulose Microfibril Twist, Mechanics, and Implication for Cellulose Biosynthesis  J. Phys. Chem. A, 117 (12), 2580–2589 (2013).  [DOI: 10.1021/jp3089929External link] [CLSF]
299.Hammes-Schiffer, Sharon; Horvath, Samantha; and Fernandez, Laura E  Theoretical Design of Molecular Electrocatalysts with Flexible Pendant Amines for Hydrogen Production and Oxidation  Journal of Physical Chemistry Letters, 4, 542-546 (2013).  [DOI: 10.1021/jz3020277External link] [CME]
300.Heiden, Zacharian M; Chen, Shentan; Mock, Michael T; Dougherty, William G; Kassel, W Scott; Rousseau, Roger; and Bullock, R. Morris  Protonation of Ferrous Dinitrogen Complexes Containing a Diphosphine Ligand with a Pendent Amine  Inorganic Chemistry, 52, 4026-4039 (2013).  [DOI: 10.1021/ic4000704External link] [CME]
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