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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 March 26, 2013.

1.Barnes, J.C.; Fahrenbach, Albert C.; Cao, Dennis; Dyar, Scott M.; Frasconi, M.; Giesener, M. A.; Benítez, D.; Tkatchouk, E.; Li, H.; Stern, Charlotte L.; Sarjeant, Amy A.; Hartlieb, K.J.; Liu, Z.; Carmieli, Raanan; Botros, Y.Y.; Wasielewski, M. R.; Goddard III, W.A.; and Stoddart, J. Fraser  A Radically Configurable Six-State Compound  Science, TBD, In press (2013).  [DOI: In PressExternal link] [ANSER]
2.Chung, In; Lee, Byunghong; He, Jiaqing; Chang, Robert P. H.; and Kanatzidis, Mercouri G.  All-solid-state dye-sensitized solar cells with high efficiency  Nature, 485, 486-489 (2013).  [DOI: 10.1038/nature11067External link] [ANSER]
3.Hoel, Cathleen A.; Buchholz, D. Bruce; Chang, Robert P. H.; and Poeppelmeier, Kenneth R.  Pulsed-laser deposition of heteroepitaxial corundum-type ZITO: cor-In(2−2x)ZnxSnxO3  Thin Solid Films, 520, 2938-2942 (2013).  [DOI: 10.1016/j.tsf.2011.10.012External link] [ANSER]
4.Jin, Shengye; Son, Ho-Jin; Farha, Omar K.; Wiederrecht, Gary P.; and Hupp, Joseph T.  Energy Transfer from Quantum Dots to Metal–Organic Frameworks for Enhanced Light Harvesting  Journal of the American Chemical Society, , (2013).  [DOI: 10.1021/ja3097114External link] [ANSER]
5.Katz, Michael J.; Vermeer, Michael J. D.; Farha, Omar K.; Pellin, Michael J.; and Hupp, Joseph T.  Effects of Adsorbed Pyridine Derivatives and Ultrathin Atomic-Layer-Deposited Alumina Coatings on the Conduction Band-Edge Energy of TiO2 and on Redox-Shuttle-Derived Dark Currents  Langmuir, 29, 806-814 (2013).  [DOI: 10.1021/la303962yExternal link] [ANSER]
6.Kushner-Lenhoff, Maxwell N.; Blakemore, James D.; Schley, Nathan D.; Crabtree, Robert H.; and Brudvig, Gary W.  Effects of aqueous buffers on electrocatalytic water oxidation with an iridium oxide material electrodeposited in thin layers from an organometallic precursor  Dalton Transactions, TBD, TBD (2013).  [DOI: 10.1039/C2DT32326EExternal link] [ANSER]
7.Lu, Luyao; Luo, Zhiqiang; Xu, Tao; and Yu, Luping P.  Cooperative Plasmonic Effect of Ag and Au Nanoparticles on Enhancing Performance of Polymer Solar Cells  Nano Letters, 13, 59-64 (2013).  [DOI: 10.1021/nl3034398External link] [ANSER]
8.Riha, Shannon C.; DeVries Vermeer, Michael J.; Pellin, Michael J.; Hupp, Joseph T.; and Martinson, Alex B. F.  Hematite-based Photo-oxidation of Water Using Transparent Distributed Current Collectors  ACS Applied Materials & Interfaces, , (2013).  [DOI: 10.1021/am302356kExternal link] [ANSER]
9.Shim, Yurina ; Yuhas, B. D.; Dyar, Scott M.; Smeigh, Amanda L.; Douvalis, Alexios P.; Wasielewski, M. R.; and Kanatzidis, M. G.  Tunable Biomimetic Chalcogels with Fe4S4 Cores and [SnnS2n+2]4-(n=1,2,4) Building Blocks for Solar Fuel Catalysis  Journal of the American Chemical Society, TBD, Accepted (2013).  [DOI:External link] [ANSER]
10.Son, Ho-Jin; Jin, Shengye; Patwardhan, Sameer; Wezenberg, Sander J.; Jeong, Nak Cheon; So, Monica; Wilmer, Christopher E.; Sarjeant, Amy A.; Schatz, George C.; Snurr, Randall Q.; Farha, Omar K.; Wiederrecht, Gary P.; and Hupp, Joseph T.  Light-Harvesting and Ultrafast Energy Migration in Porphyrin-Based Metal–Organic Frameworks  Journal of the American Chemical Society, 135, 862-869 (2013).  [DOI: 10.1021/ja310596aExternal link] [ANSER]
11.Zaffaroni, Riccardo; Rauchfuss, Thomas B.; Fuller, Amy; De Gioia, Luca; and Zampella, Giuseppe  Contrasting Protonation Behavior of Diphosphido vs Dithiolato Diiron(I) Carbonyl Complexes  Organometallics, 1, 232-238 (2013).  [DOI: 10.1021/om300997sExternal link] [ANSER]
12.Rendek, Kimberly N; Fromme, Raimund; Grotjohann, Ingo; and Fromme, Petra  Crystallization of a self-assembled three-dimensional DNA nanostructure  Acta Crystallogr., Sect. F: Struct. Biol. Crystal. Commun., F69, 141-146 (2013).  [DOI: 10.1107/S1744309112052128External link] [BISfuel]
13.Sherman, Benjamin D; Vaughn, Michael D; Bergkamp, Jesse J; Gust, Devens; Moore, Ana L.; and Moore, Thomas A.  Evolution of reaction center mimics to systems capable of generating solar fuel  Photosynth. Res., published online Feb 11, 2013, (2013).  [DOI: 10.1007/s11120-013-9795-4External link] [BISfuel]
14.Parsell, T. H.; Owen, Ben C; Klein, Ian; Jarrell, T. M.; Marcum, C. L.; Haupert, L. J.; Amundson, Lucas M; Kenttämaa, Hilkka I; Ribeiro, Fabio H; Miller, Jeffrey T; and Abu-Omar, M. M.  Cleavage and hydrodeoxygenation (HDO) of C–O bonds relevant to lignin conversion using Pd/Zn synergistic catalysis  Chem. Sci., 4, 806-813 (2013).  [DOI: 10.1039/C2SC21657DExternal link] [C3Bio]
15.Vinueza, N. R.; Gallardo, V. A.; Klimek, J. F.; Carpita, N. C.; and Kenttamaa, H. I.  Analysis of carbohydrates by atmospheric pressure chloride anion attachment tandem mass spectrometry  Fuel, 105, 235-246 (2013).  [DOI: 10.1016/j.fuel.2012.08.012External link] [C3Bio]
16.Li, Yuehao; Yamane, Dawit G.; Li, Shuning; Biswas, Sanchita; Reddy, Rupesh K.; Goettert, Jost; Nandakumar, Krishnaswamy; and Kumar, Challa S.S.R.  Geometric Optimization of Liquid-Liquid Slug Flow in a Flow-focusing Millifluidic Device for Synthesis of Nanomaterials  Chemical Engineering Journal, 217, 447-459 (2013).  [DOI: 10.1016/j.cej.2012.11.111External link] [CALCD]
17.Prieto, G.; Meeldijk, Johannes D.; de Jong, K.P.; and de Jongh, P.E.  Interplay between port size and nanoparticle spatial distribution: Consequences for the stability of CuZn/SiO2 mathanol synthesis catalysts  Journal of Catalysis, , (2013).  [DOI:External link] [CALCD]
18.Prieto, G.; Zecevic, J.; Friedrich, H.; de Jong, K.P.; and de Jongh, P.E.  Towards stable catalysts by control over the collective features of supported metal nanoparticles  Nature Materials, 12, 34-39 (2013).  [DOI: 10.1038/nmat3471External link] [CALCD]
19.Sai Krishna, Katla; Navin, Chelliah; Biswas, Sanchita; Singh, Varshni; Ham, Kyungmin; Bovencamp, L. S.; Theegala, Chandra; Miller, Jeffrey T; Spivey, James J.; and Kumar, Challa S.S.R.  Millifluidics for time-resolved mapping of the growth of gold nanostructures  Journal of American Chemical Society, , (2013).  [DOI: acceptedExternal link] [CALCD]
20.Zhou, Zihao; Habenicht, B. F.; Guo, Qinlin; Yan, Zhen; Xu, Y.; Liu, Li; and Goodman, D. Wayne  Graphene moire structure grown on a pseudomorphic metal overlayer supported on Ru(0001)  Surf. Sci., on line, (2013).  [DOI: 10.1016/j.susc.2013.01.016External link] [CALCD]
21.McDaniel, Hunter; Fuke, Nobuhiro; Pietryga, Jeffrey M.; and Klimov, Victor I.  Engineered CuInSexS2–x Quantum Dots for Sensitized Solar Cells  J. Phys. Chem. Lett., 4, 355-361 (2013).  [DOI: 10.1021/jz302067rExternal link] [CASP]
22.Figg, Travis M.; and Cundari, Thomas R  Computational Hammett analysis of redox based oxy-insertion by Pt(II) complexes  Dalton Trans., 42, 4114-4121 (2013).  [DOI: 10.1039/c2dt31983gExternal link] [CCHF]
23.Luca, Oana R.; and Crabtree, Robert H.  Redox-active ligands in catalysis  Chem Soc Rev, 42, 1440-1459 (2013).  [DOI: 10.1039/c2cs35228aExternal link] [CCHF]
24.McMullin, Claire L.; Pierpont, Aaron W.; and Cundari, Thomas R  Complete methane-to methanol catalytic cycle: A DFT study of oxygen atom transfer from N2O to late-row (M=Ni, Cu, Zn) β-diketiminate C—H activation catalysts  Polyhedron, 52, 945-956 (2013).  [DOI: 10.1016/j.poly.2012.07.019External link] [CCHF]
25.Mei, Jiajun; Carsch, Kurtis M.; Freitag, Cody R.; Gunnoe, T. Brent; and Cundari, Thomas R  Variable Pathways for Oxygen Atom Insertion into Metal–Carbon Bonds: The Case of Cp*W(O)2(CH2SiMe3)  J. Am. Chem. Soc, 135, 424-435 (2013).  [DOI: 10.1021/ja309755gExternal link] [CCHF]
26.Zhou, Meng; Hintermair, Ulrich; Hashiguchi, Brian G; Parent, Alexander R.; Hashmi, Sara M.; Elimelech, Menachem; Periana, Roy A; Brudvig, Gary W.; and Crabtree, Robert H.  Cp* Iridium Precatalysts for Selective C- H Oxidation with Sodium Periodate As the Terminal Oxidant  Organometallics, , (2013).  [DOI: 10.1021/om301252wExternal link] [CCHF]
27.Larson, B. C.; and Levine, L. E.  Submicrometre-resolution polychromatic three-dimensional X-ray microscopy  J. Appl. Crystall, 46, 153-164 (2013).  [DOI: 10.1107/S0021889812043737External link] [CDP]
28.Lee, Jiye; Bruzek, M. J.; Thompson, Nicholas J.; Sfeir, Matthew; Anthony, J. E.; and Baldo, Marc A.  Singlet Exciton Fission in a Hexacene Derivative  Adv. Mater., in press, (2013).  [DOI:External link] [CE]
29.Shirasaki, Yasuhiro; Supran, Geoffrey J.; Bawendi, Moungi G.; and Bulovic, Vladimir  Emergence of colloidal quantum-dot light-emitting technologies  Nat. Photonics, 7, 13-23 (2013).  [DOI: 10.1038/nphoton.2012.328External link] [CE]
30.Song, Katherine W.; Costi, Ronny; and Bulovic, Vladimir  Electrophoretic Deposition of CdSe/ZnS Quantum Dots for Light-Emitting Devices  Advanced Materials, , n/a-n/a (2013).  [DOI: 10.1002/adma.201203079External link] [CE]
31.Wen, Patrick; Christmann, Gabriel; Baumberg , Jeremy; and Nelson, Keith A  Influence of multi-exciton correlations on nonlinear polariton dynamics in semiconductor microcavities  New J. Phys., just accepted, expected publication (2013).  [DOI:External link] [CE]
32.Abouimrane, Ali; Odom, Susan A.; Tavassol, Hadi; Schulmerich, Matthew V; Wu, H.; Bhargava, Rohit; Gewirth, Andrew A.; Moore, Jeffrey S.; and Amine, Khalil  3-Hexylthiophene as a Stabilizing Additive for High Voltage Cathodes in Lithium-Ion Batteries  J. Electrochem. Soc., 160, A268-A271 (2013).  [DOI: 10.1149/2.039302jesExternal link] [CEES]
33.Assary, Rajeev S.; Lu, Jun; Du, Peng; Luo, Xiangyi; Zhang, Xiaoyi; Ren, Yang ; Curtiss, Larry A; and Amine, Khalil  The Effect of Oxygen Crossover on the Anode of a Li–O2 Battery using an Ether-Based Solvent: Insights from Experimental and Computational Studies  ChemSusChem, 6, 51-55 (2013).  [DOI: 10.1002/cssc.201200810External link] [CEES]
34.Trahey, Lynn; Karan, Naba K; Chan, Maria K. Y.; Lu, Jun; Ren, Yang ; Greeley, Jeffrey P; Balasubramanian, M.; Burrell, Anthony K.; Curtiss, Larry A; and Thackeray, Michael  Synthesis, Characterization, and Structural Modeling of High-Capacity, Dual Functioning MnO2 Electrode/Electrocatalysts for Li-O2 Cells  Adv. Energy Mater., 3, (2013).  [DOI: 10.1002/aenm.201200037External link] [CEES]
35.Camacho, J.; Lieb, S.; and Wang, Hai  Evolution of size distributions of nascent soot in n- and i-butanol flames  Proc. Combust. Inst, 34, 1853-1860 (2013).  [DOI: 10.1016/j.proci.2012.05.100External link] [CEFRC]
36.Campbell, M. F.; Davidson, David F.; Hanson, Ronald K.; and Westbrook, Charles K.  Ignition Delay Times of Methyl Oleate and Methyl Linoleate Behind Reflected Shock Waves  Proc. Combust. Inst, 34, 419–425 (2013).  [DOI: 10.1016/j.proci.2012.05.084External link] [CEFRC]
37.Dames, Enoch; and Wang, Hai  Isomerization kinetics of benzylic and methylphenyl type radicals in single-ring aromatics  Proc. Combust. Inst, 34, 307–314 (2013).  [DOI: 10.1016/j.proci.2012.05.014External link] [CEFRC]
38.Dievart, P. ; Won, Sang Hee; Gong, J.; Dooley, S.; and Ju, Yiguang  A Comparative Study of Chemical Kinetic Characteristics of Methyl Esters in Diffusion Flame Extinction  Proc. Combust. Inst, 34, 821-829 (2013).  [DOI: 10.1016/j.proci.2012.06.180External link] [CEFRC]
39.El-Asrag, J. A.; and Ju, Yiguang  Direct Numerical Simulations of Exhaust Gas Recirculation on Multistage Autoignition in the Negative Temperature Combustion Regime for A Stratified Flow by Using H2O2 Addition  Combustion Theory and Modeling, , (2013).  [DOI:External link] [CEFRC]
40.Gabet, K. N.; Shen, H.; Fuest, F.; and Sutton, J. A.  A comparison of turbulent dimethyl ether and methane non-premixed flame structure  Proc. Combust. Inst, 34, 1447-1454 (2013).  [DOI: 10.1016/j.proci.2012.06.183External link] [CEFRC]
41.Gou, Xiaolong; Chen, Z.; Sun, Wenting; and Ju, Yiguang  A Dynamic Adaptive Chemistry Scheme with Error Control for Combustion Modeling with a Large Detailed Mechanism  Combustion and Flame, 160, 225-231 (2013).  [DOI: 10.1016/j.combustflame.2012.10.015External link] [CEFRC]
42.Guo, Huijin; Sun, Wenting; Haas, F. M.; Dryer, F. L. ; and Ju, Yiguang  Measurements of H2O2 in Low Temperature Dimethyl Ether Oxidation  Proc. Combust. Inst, 34, 573-581 (2013).  [DOI: 10.1016/j.proci.2012.05.056External link] [CEFRC]
43.Kim, H. H.; Won, Sang Hee; Santner, J.; Chen, Z.; and Ju, Yiguang  Measurements of the Critical Initiation Radius and Unsteady Propagation of n-Decane/Air Premixed Flames  Proc. Combust. Inst, 34, 929-936 (2013).  [DOI: 10.1016/j.proci.2012.07.035External link] [CEFRC]
44.Lefkowitz, J. K.; Won, Sang Hee; Fenard, Y.; and Ju, Yiguang  Uncertainty Assessment of Species Measurements in Acetone Counterflow Diffusion Flames  Proc. Combust. Inst, 34, 813-820 (2013).  [DOI: 10.1016/j.proci.2012.05.055External link] [CEFRC]
45.Park, O.; Veloo, Peter S.; and Egolfopoulos, Fokion N.  Flame studies of C2 hydrocarbons  Proc. Combust. Inst, 34, 711-718 (2013).  [DOI: 10.1016/j.proci.2012.06.159External link] [CEFRC]
46.Pope, Stephen B.  Small scales, many species and the manifold challenges of turbulent combustion  Proc. Combust. Inst, 34, 1-31 (2013).  [DOI: 10.1016/j.proci.2012.09.009External link] [CEFRC]
47.Ren, W.; Lam, K. Y.; Pyun, S. H.; Farooq, A.; Davidson, David F.; and Hanson, Ronald K.  Shock Tube/Laser Absorption Studies of the Decomposition of Methyl Formate  Proc. Combust. Inst, 34, 453–461 (2013).  [DOI: 10.1016/j.proci.2012.05.071External link] [CEFRC]
48.Santner, J.; Dryer, F. L. ; and Ju, Yiguang  The Effects of Water Dilution on Hydrogen, Syngas, and Ethylene Flames at Elevated Pressure  Proc. Combust. Inst, 34, 719-726 (2013).  [DOI: 10.1016/j.proci.2012.06.065External link] [CEFRC]
49.Valiev, D.; Zhu, D. L.; Bansal, G.; Kolla, H.; Law, C. K.; and Chen, J. H.  Pulsating instability of externally forced premixed counterflow  Combust. Flame, 160, 285-294 (2013).  [DOI: 10.1016/j.combustflame.2012.10.014External link] [CEFRC]
50.Veloo, Peter S.; Dagaut, P.; Togbe, C.; Dayma, G.; Sarathy, S. M.; Westbrook, Charles K.; and Egolfopoulos, Fokion N.  Jet-stirred reactor and flame studies of propanal oxidation  Proc. Combust. Inst, 34, 599-606 (2013).  [DOI: 10.1016/j.proci.2012.06.138External link] [CEFRC]
51.Wang, Haifeng; Juddoo, M.; Starner, S. H.; Masri, A. R.; and Pope, Stephen B.  A novel transient turbulent jet flame for studying turbulent combustion  Proc. Combust. Inst, 34, 1251–1259 (2013).  [DOI: 10.1016/j.proci.2012.08.015External link] [CEFRC]
52.Westbrook, Charles K.; Yang, B. ; Cool, T. A.; Hansen, N.; and Kohse-Hoinghaus, K.  Photoionization Mass Spectrometry and Modeling Study of Premixed Flames of Three Unsaturated C5H8O2 Esters  Proc. Combust. Inst, 34, 443-451 (2013).  [DOI: 10.1016/j.proci.2012.05.034External link] [CEFRC]
53.Wu, F. J.; Jomaas, G.; and Law, C. K.  An experimental investigation on self-acceleration of cellular spherical flames  Proc. Combust. Inst, 34, 937-945 (2013).  [DOI: 10.1016/j.proci.2012.05.068External link] [CEFRC]
54.Yang, Y.; Wang, H.; Pope, Stephen B.; and Chen, J. H.  Large-eddy simulation/PDF modeling of a non-premixed CO/H2 temporally evolving jet flame  Proc. Combust. Inst, 34, 1241-1249 (2013).  [DOI: 10.1016/j.proci.2012.06.021External link] [CEFRC]
55.Yoo, C. S.; Luo, Z.; Lu, T. F.; Kim, H.; and Chen, J. H.  A DNS study of ignition characteristics of a lean iso-octane/air mixture under HCCI and SACI conditions  Proc. Combust. Inst, 34, 2985-2993 (2013).  [DOI: 10.1016/j.proci.2012.05.019External link] [CEFRC]
56.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]
57.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]
58.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]
59.Eisenstein, Odile; and Crabtree, Robert H  Outer sphere hydrogenation catalysis   New J. Chem., 37, 21-27 (2013).  [DOI: 10.1039/C2NJ40659DExternal link] [CETM]
60.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., , (2013).  [DOI: 10.1016/j.jorganchem.2012.10.038External link] [CETM]
61.Luca, Oana R; and Crabtree, Robert H  Redox-Active Ligands in Catalysis  Chem. Soc. Rev., , (2013).  [DOI: 10.1039/C2CS35228AExternal link] [CETM]
62.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]
63.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., , (2013).  [DOI: 10.1021/ja310410dExternal link] [CETM]
64.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]
65.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]
66.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, 1 - 17 (2013).  [DOI: 10.1002/wrcr.20088External link] [CFSES]
67.Santillan, Eugenio F.U.; Kirk, Matthew F.; Altman, Susan J.; Bennett, Phillip C.; and ,  Mineral influence on microbial survival during carbon sequestration  Geomicrobiol. J., , (2013).  [DOI: 10.1080/01490451.2013.767396External link] [CFSES]
68.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]
69.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]
70.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., , (2013).  [DOI: 10.1039/c3sc00032jExternal link] [CGS]
71.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]
72.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]
73.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]
74.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, , (2013).  [DOI: 10.1073/pnas.1211749110External link] [CGS]
75.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]
76.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]
77.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]
78.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, , Just Accepted Manuscript (2013).  [DOI: 10.1021/la303354tExternal link] [CISSEM]
79.Cocilovo, B.; Amooali, A; Lopez-Santiago, A.; Favela, Jacob; Islam, S.; Duong, B.; 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]
80.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]
81.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]
82.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., , Early View (2013).  [DOI: 10.1002/aenm.201200669External link] [CISSEM]
83.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]
84.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]
85.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]
86.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]
87.Li, Shundai; Lei, Lei; and Gu, Ying   Functional analysis of complexes with mixed primary and secondary cellulose synthases  Plant Signaling Behav., 8, (2013).  [DOI:External link] [CLSF]
88.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]
89.Liu, Tianbiao; DuBois, Daniel L; and Bullock, R. Morris  An iron complex with pendent amines as a molecular electrocatalyst for oxidation of hydrogen  Nature Chemistry, 5, 228-233 (2013).  [DOI: 10.1038/nchem.1571External link] [CME]
90.Reback, Matthew L; Ginovska-Pangovska, Bojana; Ho, Ming-Hsun; Jain, Avijita; Squier, Thomas C; Raugei, Simone; Roberts, John A.; 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 (2013).  [DOI: 10.1002/chem.201202849External link] [CME]
91.Bai, X. M.; and Uberuaga, B. P.  On the influence of grain boundaries on radiation-induced point defect production in materials: a review of atomistic studies  JOM, , (2013).  [DOI:External link] [CMIME]
92.Bi, Z.; Uberuaga, B. P.; Vernon, L J; Fu, E G; Wang , Y; Li, Nan; Wang, H; Misra, AMit; and Jia, Q X  Radiation damage in heteroepitaxial BaTiO3 thin films on SrTiO3 under Ne ion irradiation  Journal of Applied Physics, 113, 023513 (2013).  [DOI:External link] [CMIME]
93.Borovikov, V.; Tang, X. -Z.; Perez, D.; Bai, X. M.; Uberuaga, B. P.; and Voter, A. F.  Influence of point defects on grain boundary mobility in bcc tungsten  J. Phys.: Condens. Matter, 25, 035402 (2013).  [DOI:External link] [CMIME]
94.Carpenter, J S; Zheng, S J; Zhang, R F; Vogel, S. C.; Beyerlein, I J; and Mara, N A  Thermal Stability of Cu-Nb Nanolamellar Composites Fabricated via Accumulative Roll Bonding  Philosophical Magazine, , (2013).  [DOI: 10.1080/14786435.2012.731527External link] [CMIME]
95.Dunn, A. Y.; McPhie, M. G.; Capolungo, L.; Martinez, E; and Cherkaoui, M.  Helium bubble formation and retention in Cu-Nb nanocomposites  JOURNAL OF NUCLEAR MATERIALS, 435, 141-152 (2013).  [DOI:External link] [CMIME]
96.Escobedo, J. P.; Cerreta, E K; Dennis-Koller, D.; Trujillo, Carl P.; and Bronkhorst, C A  Influence of Boundary Structure and Near Neighbor Crystallographic Orientation on the Dynamic Damage Evolution During Shock Loading  Phil. Mag., , (2013).  [DOI: 10.1080/14786435.2012.734638External link] [CMIME]
97.Fensin, S J; Brandl, C.; Cerreta, E K; Gray III, G. T.; Germann, T. C.; and Valone, S M  Nanoscale Plasticity at Grain Boundaries in FCC Copper Under Shock Loading  JOM, , (2013).  [DOI:External link] [CMIME]
98.Fensin, S J; Valone, S M; Cerreta, E K; Gray III, G. T.; Kang, K.; and Wang, J.  Effect of Grain Boundary Structure on Plastic Deformation During Shock Compression Using Molecular Dynamics  Modeling and Simulations in Materials Science and Engineering, 21, 015011 (2013).  [DOI:External link] [CMIME]
99.Kolluri, K; Liu, X. -Y.; Hoagland, R. G.; and Demkowicz, M J  Behavior of Vacancies and Interstitials at Semicoherent Interfaces  JOM, , (2013).  [DOI:External link] [CMIME]
100.Kumar, N. Naveen; Martinez, E; Dutta, B. K.; Dey, G. K.; and Caro, J. A.  Nodal effects in a-iron dislocation mobility in the presence of helium bubbles  Phys. Rev. B, , (2013).  [DOI: 10.1103/PhysRevB.00.004100External link] [CMIME]
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