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.

1.Avestro, Alyssa-Jennifer; Gardner, Daniel M.; Vermeulen, Nicolaas A.; Wilson, Eleanor A.; Schneebeli, Severin T.; Whalley, Adam C.; Belowich, Matthew E.; Carmieli, Raanan; Wasielewski, Michael R.; and Stoddart, J. Fraser  Gated Electron Sharing Within Dynamic Naphthalene Diimide-Based Oligorotaxanes  Angewandte Chemie International Edition, 53, 4442-4449 (2014).  [DOI: 10.1002/anie.201309680External link] [ANSER]
2.Ding, Wendu; Negre, Christian F. A.; Vogt, Leslie; and Batista, Victor S.  High-Conductance Conformers in Histograms of Single-Molecule Current–Voltage Characteristics  The Journal of Physical Chemistry C, , (2014).  [DOI: 10.1021/jp503193mExternal link] [ANSER]
3.Ding, Wendu; Negre, Christian F. A.; Palma, Julio L.; Durrell, Alec C.; Allen, Laura J.; Young, Karin J.; Milot, Rebecca L.; Schmuttenmaer, Charles A.; Brudvig, Gary W.; Crabtree, Robert H.; and Batista, Victor S.  Linker Rectifiers for Covalent Attachment of Transition-Metal Catalysts to Metal-Oxide Surfaces  ChemPhysChem, 15, 1138-1147 (2014).  [DOI: 10.1002/cphc.201400063External link] [ANSER]
4.Dyar, Scott M.; Barnes, Jonathan C.; Juríček, Michal; Stoddart, J. Fraser; Co, Dick T.; Young, Ryan M.; and Wasielewski, Michael R.  Electron Transfer and Multi-Electron Accumulation in ExBox4+  Angewandte Chemie, , (2014).  [DOI: 10.1002/ange.201402444External link] [ANSER]
5.Harschneck, Tobias; Zhou, Nanjia; Manley, Eric F.; Lou, Sylvia J.; Yu, Xinge; Butler, Melanie R.; Timalsina, Amod; Turrisi, Riccardo; Ratner, Mark A.; Chen, Lin X.; Chang, Robert P. H.; Facchetti, Antonio; and Marks, Tobin J.  Substantial photovoltaic response and morphology tuning in benzo[1,2-b:6,5-b[prime or minute]]dithiophene (bBDT) molecular donors  Chemical Communications, 50, 4099-4101 (2014).  [DOI: 10.1039/c3cc49620aExternal link] [ANSER]
6.Huang, Hui; Zhou, Nanjia; Ortiz, Rocio Ponce; Chen, Zhihua; Loser, Stephen; Zhang, Shiming; Guo, Xugang; Casado, Juan; López Navarrete, J. Teodomiro; Yu, Xinge; Facchetti, Antonio; and Marks, Tobin J.  Alkoxy-Functionalized Thienyl-Vinylene Polymers for Field-Effect Transistors and All-Polymer Solar Cells  Advanced Functional Materials, , (2014).  [DOI: 10.1002/adfm.201303219External link] [ANSER]
7.Huang, Jier; Blakemore, James D.; Fazi, Diego; Kokhan, Oleksandr; Schley, Nathan D.; Crabtree, Robert H.; Brudvig, Gary W.; and Tiede, David M.  Domain structure for an amorphous iridium-oxide water-oxidation catalyst characterized by X-ray pair distribution function analysis  Physical Chemistry Chemical Physics, 16, 1814-1819 (2014).  [DOI: 10.1039/c3cp54878cExternal link] [ANSER]
8.Jackson, Nicholas E.; Savoie, Brett M.; Kohlstedt, Kevin L.; Marks, Tobin J.; Chen, Lin X.; and Ratner, Mark A.  Structural and Conformational Dispersion in the Rational Design of Conjugated Polymers  Macromolecules, 47, 987-992 (2014).  [DOI: 10.1021/ma4023923External link] [ANSER]
9.Jackson, Nicholas E.; Heitzer, Henry M.; Savoie, Brett M.; Reuter, Matthew G.; Marks, Tobin J.; and Ratner, Mark A.  Emergent Properties in Locally Ordered Molecular Materials  Israel Journal of Chemistry, , (2014).  [DOI: 10.1002/ijch.201400021External link] [ANSER]
10.Jalilov, Almaz S.; Patwardhan, Sameer; Singh, Arunoday; Simeon, Tomekia; Sarjeant, Amy A.; Schatz, George C.; and Lewis, Frederick D.  Structure and Electronic Spectra of Purine–Methyl Viologen Charge Transfer Complexes  The Journal of Physical Chemistry B, 118, 125-133 (2014).  [DOI: 10.1021/jp410348bExternal link] [ANSER]
11.Peterson, Mark D.; Jensen, Stephen C.; Weinberg, David J.; and Weiss, Emily A.  Mechanisms for Adsorption of Methyl Viologen on CdS Quantum Dots  ACS Nano, 8, 2826-2837 (2014).  [DOI: 10.1021/nn406651aExternal link] [ANSER]
12.Savoie, Brett M.; Rao, Akshay; Bakulin, Artem A.; Gelinas, Simon; Movaghar, Bijan; Friend, Richard H.; Marks, Tobin J.; and Ratner, Mark A.  Unequal Partnership: Asymmetric Roles of Polymeric Donor and Fullerene Acceptor in Generating Free Charge  Journal of the American Chemical Society, 136, 2876-2884 (2014).  [DOI: 10.1021/ja411859mExternal link] [ANSER]
13.Szarko, Jodi M.; Rolczynski, Brian S.; Lou, Sylvia J.; Xu, Tao; Strzalka, Joseph; Marks, Tobin J.; Yu, Luping P.; and Chen, Lin X.  Photovoltaic Function and Exciton/Charge Transfer Dynamics in a Highly Efficient Semiconducting Copolymer  Advanced Functional Materials, 24, 10-26 (2014).  [DOI: 10.1002/adfm.201301820External link] [ANSER]
14.Wang, Wenguang; Rauchfuss, Thomas B.; Zhu, Lingyang; and Zampella, Giuseppe  New Reactions of Terminal Hydrides on a Diiron Dithiolate  Journal of the American Chemical Society, , (2014).  [DOI: 10.1021/ja501366jExternal link] [ANSER]
15.Xu, Tao; Lu, Luyao; Zheng, Tianyue; Szarko, Jodi M.; Schneider, Alexander; Chen, Lin X.; and Yu, Luping P.  Tuning the Polarizability in Donor Polymers with a Thiophenesaccharin Unit for Organic Photovoltaic Applications  Advanced Functional Materials, , (2014).  [DOI: 10.1002/adfm.201303688External link] [ANSER]
16.Zhu, Q.; Ma, Q.; Buchholz, D. B.; Chang, R. P. H.; Bedzyk, M. J.; and Mason, T. O.  Structural and physical properties of transparent conducting, amorphous Zn-doped SnO2 films  Journal of Applied Physics, 115, 033512 (2014).  [DOI: 10.1063/1.4861378External link] [ANSER]
17.Flory, Justin D.; Simmons, Chad R.; Lin, Su; Johnson, Trey; Andreoni, Alessio; Zook, James; Ghirlanda, Giovanna; Liu, Yan; Yan, Hao; and Fromme, Petra  Low Temperature Assembly of Functional 3D DNA-PNA-Protein Complexes  J Am Chem Soc, accepted, (2014).  [DOI: 10.1021/ja501228cExternal link] [BISfuel]
18.Jeon, Ki-Wan; and Seo, Dong-Kyun  Concomitant thionation and reduction of graphene oxide through solid/gas metathetical sulfidation reactions at high temperatures  Phosphorus, Sulfur, and Silicon and the Related Elements, Published online Mar 3, 2014, (2014).  [DOI: 10.1080/10426507.2013.855773External link] [BISfuel]
19.Megiatto Jr., Jackson D.; Méndez-Hernández, Dalvin D; Tejeda-Ferrari, Marely E.; Teillout, Anne-Lucie; Llansola-Portolés, Manuel J; Kodis, Gerdenis; Poluektov, Oleg G.; Rajh, Tijana; Mujica, Vladimiro; Groy, Thomas L; Gust, Devens; Moore, Thomas A.; and Moore, Ana L.  A bioinspired redox relay that mimics radical interactions of the Tyr–His pairs of photosystem II  Nature Chemistry, 6, 423–428 (2014).  [DOI: 10.1038/nchem.1862External link] [BISfuel]
20.Al-musleh, Easa I.; Mallapragada, Dharik S.; and Agrawal, Rakesh  Continuous power supply from a baseload renewable power plant  Applied Energy, 122, 83–93 (2014).  [DOI: 10.1016/j.apenergy.2014.02.015External link] [C3Bio]
21.Bonawitz, Nicholas D.; Kim, Jeong Im; Tobimatsu, Yuki; Ciesielski, Peter N.; Anderson, Nickolas; Ximenes, Eduardo; Maeda, Junko; Ralph, John; Donohoe, Bryon S.; Ladisch, Michael; and Chapple, Clint C. S.  Disruption of Mediator rescues the stunted growth of a lignin-deficient Arabidopsis mutant  Nature, 509, 376-380 (2014).  [DOI: 10.1038/nature13084External link] [C3Bio]
22.Chowdhury, Azhad U.; Dettmar, Chris M; Sullivan, Shane Z.; Zhang, Shijie; Jacobs, Kevin T.; Kissick, David J.; Maltais, Thora; and Simpson, G. J.  Kinetic trapping of metastable amino acid polymorphs  JACS, 136, 2404-2412 (2014).  [DOI: 10.1021/ja410293pExternal link] [C3Bio]
23.Ciesielski, P. N.; Wang, Wei; Chen, Xiaowen; Vinzant, T. B.; Tucker, Melvin P; Decker, Stephen R.; Himmel, Michael E.; Johnson, David K.; and Donohoe, B. S.  Effect of mechanical disruption on the effectiveness of three reactors used for dilute acid pretreatment of corn stover. Part 2: Morphological and structural substrate analysis  Biotechnology for Biofuels, 7, 47 (2014).  [DOI: 10.1186/1754-6834-7-47External link] [C3Bio]
24.Ciesielski, P. N.; Resch, M.; Hewetson, Barron; Killgore, Jason P.; Curtin, Alexandra; Anderson, Nickolas; Chiaramonti, Ann N.; Hurley, Donna C.; Sanders, Aric; Himmel, Michael E.; Chapple, Clint C. S.; Mosier, N. S.; and Donohoe, B. S.  Engineering plant cell walls: Tuning lignin monomer composition for deconstructable biofuels feedstocks of resilient biomaterials  Green Chem, 16, 2627-2635 (2014).  [DOI: 10.1039/C3GC42422GExternal link] [C3Bio]
25.Dutta, Arghya; Gupta, Dinesh ; Patra, Astam K; Saha, Basudeb ; and Bhaumik, Asim  Synthesis of 5-Hydroxymethylfurural from carbohydrates using large-pore mesoporous tin phosphate  ChemSusChem, 7, 925-933 (2014).  [DOI: 10.1002/cssc.201300766External link] [C3Bio]
26.Inouye, Hideyo; Zhang, Yan; Yang, Lin; Venugopalan, Nagarajan; Fischetti, Robert F; Gleber, S Charlotte; Vogt, Stefan; Fowle, W; Makowski, Bryan; Tucker, Melvin P; Ciesielski, P. N.; Donohoe, B. S.; Matthews, James F.; Himmel, Michael E; and Makowski, Lee  Multiscale deconstruction of molecular architecture in corn stover  Scientific Reports, 4, 3756 (2014).  [DOI: 10.1038/srep03756External link] [C3Bio]
27.Jarrell, Tiffany M; Marcum, C. L.; Sheng, Huaming; Owen, Ben C; Bozell, Joseph J; and Kenttämaa, Hilkka I  Characterization of organosolv switchgrass lignin by using high performance liquid chromatography / high resolution tandem mass spectrometry using hydroxide-doped negative-ion mode electrospray ionization  Green Chem., 16, 2713-2727 (2014).  [DOI: 10.1039/C3GC42355GExternal link] [C3Bio]
28.Mallapragada, Dharik S.; Duan, Gang; and Agrawal, Rakesh  From shale gas to renewable energy based transportation solutions  Energy Policy, 67, 499–507 (2014).  [DOI: 10.1016/j.enpol.2013.12.056External link] [C3Bio]
29.Mallapragada, Dharik S.; and Agrawal, Rakesh  Limiting and achievable efficiencies for solar thermal hydrogen production  International Journal of Hydrogen Energy, 39, 62-75 (2014).  [DOI: 10.1016/j.ijhydene.2013.10.075]External link] [C3Bio]
30.Penning, B. W.; Sykes, Robert W.; Babcock, Nicholas C.; Dugard, Christopher K.; Klimek, J. F.; Gamblin, David; Davis, Mark; Filley, Timothy R.; Mosier, N. S.; Weil, Clifford F.; McCann, Maureen C; and Carpita, Nicholas C  Validation of PyMBMS as a high throughput screen for lignin abundance in lignocellulosic biomass of grasses  Bioenergy Research, , (2014).  [DOI: 10.1007/s12155-014-9410-3External link] [C3Bio]
31.Rayon, Catherine; Olek, A. T.; and Carpita, Nicholas C  TOWARDS REDESIGNING CELLULOSE BIOSYNTHESIS FOR IMPROVED BIOENERGY FEEDSTOCKS  In: Plants and BioEnergy, Advances Plant Biology, 4, 183-193 (2014).  [DOI:External link] [C3Bio]
32.Saha, Basudeb ; and Abu-Omar, Mahdi M  Advances in 5-hydroxymethylfurfural production from biomass in biphasic solvents.   Green Chemistry, 16, 24-38 (2014).  [DOI: 10.1039/c3gc41324aExternal link] [C3Bio]
33.Venkatakrishnan, Vinod Kumar; Degenstein, John D; Smeltz, Andrew D; Delgass, W. Nicholas; Agrawal, Rakesh; and Ribeiro, Fabio H  High pressure fast-pyrolysis, fast-hydropyrolysis and catalytic hydrodeoxygenation of cellulose: Production of liquid fuel from biomass  Green Chem., 16, 792-802 (2014).  [DOI: 10.1039/C3GC41558AExternal link] [C3Bio]
34.Li, M.; Baughman, E.; Roth, M. R.; Han, X.; Welti, R.; and Wang, X.  Quantitative profiling and pattern analysis of triacylglycerol species in Arabidopsis seeds by electrospray ionization mass spectrometry  Plant J, 77, 160-172 (2014).  [DOI: 10.1111/tpj.12365External link] [CABS]
35.Peters, C; Kim, Sang-Chul; Devaiah, S. P.; Li, M; and Wang, X Sam  Non-specific Phospholipase C5 and Diacylglycerol Promote Lateral Root Development under Mild Salt Stress in Arabidopsis  Plant, Cell Environ., , (2014).  [DOI: 10.1111/pce.12334External link] [CABS]
36.Bernstein, Nicole J.; Akhade, Sneha A.; and Janik, Michael J.  Density functional theory study of carbon dioxide electrochemical reduction on the Fe (100) surface  Physical Chemistry Chemical Physics, , (2014).  [DOI: 10.1039/c4cp00266kExternal link] [CALCD]
37.Johansson, Ted; Pakhare, Devendra ; Haynes, Daniel J.; Abdelsayed, Victor; Shekhawat, Dushyant; and Spivey, James J.  Characterization of perovskite LaRhO3 for dry (CO2) reforming of methane (DRM)  Chemical Papers, , (2014).  [DOI: 10.2478/s11696-014-0566-2External link] [CALCD]
38.Krishna, Katla Sai; Tarakeshwar, Pilarisetty; Mujica, Vladimiro; and Kumar, Challa S.S.R.  Chemically induced magnetism in atomically precise gold clusters  Small, 10(5), 907-911 (2014).  [DOI: 10.1002/smll.201302393External link] [CALCD]
39.Krishna, Katla Sai; He, M.; Bruce, D.A.; and Kumar, Challa S.S.R.  The enigma of Au21(SC2H4Ph)14 nanocluster: a synthetic challenge  Nanotechnology Reviews, , (2014).  [DOI: 10.1515/ntrev-2013-0038External link] [CALCD]
40.Liang, Tao; Cheng, Yu-Ting; Nie, Xiaowa; Luo, Wenjia; Asthagiri, Aravind; Andrews, Evan; Flake, John C.; Sinnott, Susan B; and ,  Molecular dynamics simulations of CO2 reduction on Cu(111) and Cu/ZnO(1010) using charge optimized many body potentials  Catalysis Communications, , (2014).  [DOI: 10.1016/j.catcom.2013.11.033External link] [CALCD]
41.Nie, Xiaowa; Griffin, Gregory L.; Janik, Michael J.; and Asthagiri, Aravind  Surface phases of Cu2O(1 1 1) under CO2 electrochemical reduction conditions  Catalysis Communications, , (2014).  [DOI: 10.1016/j.catcom.2014.02.022External link] [CALCD]
42.Nie, Xiaowa; Luo, Wenjia; Janik, Michael J.; and Asthagiri, Aravind  Reaction mechanisms of CO2 electrochemical reduction on Cu(1 1 1) determined with density functional theory  Journal of Catalysis, 312, 108-122 (2014).  [DOI: 10.1016/j.jcat.2014.01.013External link] [CALCD]
43.Pakhare, Devendra ; and Spivey, James J.  A review of dry reforming of methane over noble metal catalysts  Chemical Society Reviews, , (2014).  [DOI: 10.1039/c3cs60395dExternal link] [CALCD]
44.Prieto, G.; Beijer, S.; Smith, Miranda L.; He, M.; Au, Y.; Wang, Z.; Bruce, D.A.; de Jong, K.P.; Spivey, James J.; and de Jongh, P.E.  Design and synthesis of copper-cobalt catalysts for the selective conversion of synthesis gas to ethanol and higher alcohols  Angew. Chem. Int. Ed., , (2014).  [DOI: 10.1002/anie.201402680R1External link] [CALCD]
45.Prieto, G.; Shakeri, Mozaffar; de Jong, K.P.; and de Jongh, P.E.  Quantitative relationship between support porosity and the stability of pore-confined metal nanoparticles studied on CuZnO/SiO2 methanol synthesis catalysts  ACS Nano, 8 (3), 2522-2531 (2014).  [DOI: 10.1021/nn406119jExternal link] [CALCD]
46.Fields, J. D.; McMurray, S.; Wienkes, L. R.; Trask, J.; Anderson, C.; Miller, P. L.; Simonds, Brian J.; Kakalios, J.; Kortshagen, Uwe R.; Lusk, M. T.; Collins, Reuben T.; and Taylor, P. Craig  Quantum confinement in mixed phase silicon thin films grown by co-deposition plasma processing  Solar Energy Materials and Solar Cells, , (2014).  [DOI: 10.1016/j.solmat.2013.10.028External link] [CASP]
47.Hughes, Barbara K.; Blackburn, Jeffrey L.; Kroupa, Daniel; Shabaev, Andrew; Erwin, Steven C.; Efros, Alexander L.; Nozik, Arthur J.; Luther, Joseph M.; and Beard, Matthew C.  Synthesis and Spectroscopy of PbSe Fused Quantum-Dot Dimers  J. Am. Chem. Soc., 136, 4670-4679 (2014).  [DOI: 10.1021/ja413026hExternal link] [CASP]
48.Klimov, Victor I.  Multicarrier Interactions in Semiconductor Nanocrystals in Relation to the Phenomena of Auger Recombination and Carrier Multiplication  Annu. Rev. Condens. Matter Phys., 5, 285-316 (2014).  [DOI: 10.1146/annurev-conmatphys-031113-133900External link] [CASP]
49.Makarov, Nikolay S.; McDaniel, Hunter; Fuke, Nobuhiro; Robel, Istvan; and Klimov, Victor I.  Photocharging Artifacts in Measurements of Electron Transfer in Quantum-Dot-Sensitized Mesoporous Titania Films  J. Phys. Chem. Lett., 5, 111-118 (2014).  [DOI: 10.1021/jz402338bExternal link] [CASP]
50.McDaniel, Hunter; Koposov, Alexey Y.; Draguta, Sergiu; Makarov, Nikolay S.; Pietryga, Jeffrey M.; and Klimov, Victor I.  Simple Yet Versatile Synthesis of CuInSexS2-x Quantum Dots for Sunlight Harvesting  J. Phys. Chem. C, , (2014).  [DOI: 10.1021/jp5004903External link] [CASP]
51.Meinardi, Francesco; Colombo, Annalisa; Velizhanin, Kirill A.; Simonutti, Roberto; Lorenzon, Monica; Beverina, Luca; Viswanatha, Ranjani; Klimov, Victor I.; and Brovelli, Sergio  Large-area luminescent solar concentrators based on 'Stokes-shift-engineered' nanocrystals in a mass-polymerized PMMA matrix  Nature Photonics, 8, 392–399 (2014).  [DOI: 10.1038/nphoton.2014.54External link] [CASP]
52.Wheeler, Lance M.; Levij, Laszlo M.; and Kortshagen, Uwe R.  Tunable Band Gap Emission and Surface Passivation of Germanium Nanocrystals Synthesized in the Gas Phase  J. Phys. Chem. Lett., 4, 3392-3396 (2014).  [DOI: 10.1021/jz401576bExternal link] [CASP]
53.Zhang, Jianbing; Gao, Jianbo; Miller, Elisa M.; Luther, Joseph M.; and Beard, Matthew C.  Diffusion-Controlled Synthesis of PbS and PbSe Quantum Dots with in Situ Halide Passivation for Quantum Dot Solar Cells  ACS Nano, 8, 614-622 (2014).  [DOI: 10.1021/nn405236kExternal link] [CASP]
54.Chang, C.-C.; Green, S. K.; Williams, C. L.; Dauenhauer, P. J.; and Fan, W.  Ultra-Selective Cycloaddition of Dimethylfuran for Renewable p-Xylene with H-BEA  Green Chem., 16, 585-588 (2014).  [DOI: 10.1039/C3GC40740CExternal link] [CCEI]
55.Chrissanthopoulos, A.; Kyriazis, F. C.; Nikolakis, V.; Giannakopoulos, I. G.; Dracopoulos, V.; Baskoutas, S.; Bouropoulos, N.; and Yannopoulos, S. N.  ZnO/zeolite hybrid nanostructures: synthesis, structure, optical properties, and simulation  Thin Solid Films, 555, 21-27 (2014).  [DOI: 10.1016/j.tsf.2013.05.157External link] [CCEI]
56.Dornath, P.; and Fan, W.  Dehydration of fructose into furans over zeolite catalyst using carbon black as adsorbent  Micropor. Mesopor. Mat., 191, 10-17 (2014).  [DOI: 10.1016/j.micromeso.2014.02.031External link] [CCEI]
57.Herrmann, S.; Stamatakis, M.; Andriotis, A. N.; and Mpourmpakis, G.  Adsorption behavior of noble metal clusters and their alloys  J. Comput. Theor. Nanos., 11(2), 511-520 (2014).  [DOI: 10.1166/jctn.2014.3387External link] [CCEI]
58.Jae, J.; Zheng, W.; Karim, A. M.; Guo, W.; Lobo, R. F.; and Vlachos, D. G.  The Role of Ru and RuO2 in the Catalytic Transfer Hydrogenation of 5-Hydroxymethylfurfural for the Production of 2,5-Dimethylfuran  ChemCatChem, 6(3), 848-856 (2014).  [DOI: 10.1002/cctc.201300945External link] [CCEI]
59.Jae, J.; Mahmoud, E.; Lobo, R. F.; and Vlachos, D. G.  Cascade of Liquid- Phase Catalytic Transfer Hydrogenation and Etherification of Hydroxymethylfurfural to Potential Bio-diesel Components over Lewis Acid Zeolites  Green Chem., 6(2), 508-513 (2014).  [DOI: 10.1002/cctc.201300978External link] [CCEI]
60.Kruger, J. S.; Nikolakis, V.; and Vlachos, D. G.  Aqueous-Phase Fructose Dehydration Using Brønsted Acid Zeolites: Catalytic Activity of Dissolved Aluminosilicate Species  Appl. Catal. A: General, 469, 116-123 (2014).  [DOI: 10.1016/j.apcata.2013.09.030External link] [CCEI]
61.Mahmoud, E.; Lobo, R. F.; and Watson, D. A.  Renewable Production of Phthalic Anhydride from Biomass-Derived Furan and Maleic Anhydride  Green Chem., 16, 167-175 (2014).  [DOI: 10.1039/C3GC41655KExternal link] [CCEI]
62.McManus, J. R.; Martono, E.; and Vohs, J. M.  Reaction of Glyceraldehyde and Glucose on Zn-modified Pt(111) Surfaces  Catal. Today, , In press (2014).  [DOI: 10.1016/j.cattod.2013.11.010External link] [CCEI]
63.Pham, T. D.; Xiong, R.; Sandler, S. I.; and Lobo, R. F.  Experimental and computational studies on the adsorption of CO2 and N2 on pure silica zeolites  Micropor. Mesopor. Mat., 185, 157-166 (2014).  [DOI: 10.1016/j.micromeso.2013.10.030External link] [CCEI]
64.Ren, H.; Chen, Y.; Huang, Y.; Deng, W.; Vlachos, D. G.; and Chen, J. G.  Tungsten carbides as selective deoxygenation catalysts: experimental and computational studies of converting C3 oxygenates to propene  Green Chem., 16, 761-769 (2014).  [DOI: 10.1039/c3gc41256cExternal link] [CCEI]
65.Swift, T. D.; Bagia, C.; Choudhary, V.; Peklaris, G.; Nikolakis, V.; and Vlachos, D. G.  Kinetics of Homogeneous Brønsted Acid-Catalyzed Fructose Dehydration and HMF Rehydration: A Combined Experimental and Computational Study  ACS Catal., 4, 259-267 (2014).  [DOI: 10.1021/cs4009495External link] [CCEI]
66.Tsilomelekis, G.; Josephson, T.; Nikolakis, V.; and Caratzoulas, S.  Origin of 5-Hydroxymethylfurfural Stability in Water/Dimethyl Sulfoxide Mixtures  ChemSusChem, 7(1), 117-126 (2014).  [DOI: 10.1002/cssc.201300786External link] [CCEI]
67.Wang, S.; Vorotnikov, V.; and Vlachos, D. G.  A DFT study of furan hydrogenation and ring opening on Pd(111)  Green Chem., 16, 736-747 (2014).  [DOI: 10.1039/C3GC41183DExternal link] [CCEI]
68.Wang, S.; Vorotnikov, V.; Sutton, J. E.; and Vlachos, D. G.  Brønsted-Evans-Polanyi and Transition State Scaling Relations of Furan Derivatives on Pd(111) and Their Relation to Those of Small Molecules  ACS Catal., 4, 604-612 (2014).  [DOI: 10.1021/cs400942uExternal link] [CCEI]
69.Xiong, R.; León, M.; Nikolakis, V.; Sandler, S. I.; and Vlachos, D. G.  Adsorption of HMF from Water/DMSO Solutions onto Hydrophobic Zeolites: Experiment and Simulation  ChemSusChem, 7(1), 236-244 (2014).  [DOI: 10.1002/cssc.201300408External link] [CCEI]
70.Xu, D.; Swindlehurst, G. R.; Wu, H.; Olson, D. H.; Zhang, X.; and Tsapatsis, M.  On the Synthesis and Adsorption Properties of Single-Unit-Cell Hierarchical Zeolites Made by Rotational Intergrowths  Adv. Funct. Mater., 24(2), 201-208 (2014).  [DOI: 10.1002/adfm.201301975External link] [CCEI]
71.Yoo, W. C.; Rajabbeigi, N.; Mallon, E. E.; Tsapatsis, M.; and Snyder, M. A.  Elucidating structure–properties relations for the design of highly selective carbon-based HMF sorbents  Micropor. Mesopor. Mat., 184, 72-82 (2014).  [DOI: 10.1016/j.micromeso.2013.10.001External link] [CCEI]
72.Yu, W.; Salciccioli, M.; Xiong, K.; Barteau, M. A.; Vlachos, D. G.; and Chen, J. G.  Theoretical and Experimental Studies of C-C versus C-O Bond Scission of Ethylene Glycol Reaction Pathways via Metal-Modified Molybdenum Carbides  ACS Catal., , In press (2014).  [DOI: 10.1021/cs500124nExternal link] [CCEI]
73.Campos, Jésus; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K; and Crabtree, Robert H  Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIII Complexes  ACS Catal., 4, 973-985 (2014).  [DOI: 10.1021/cs401138fExternal link] [CCHF]
74.Cheng, Mu-Jeng; Fu, Ross; and Goddard, III, William A.  Design and validation of non-metal oxo complexes for C–H activation  Chem. Commun., 50, 1748-1750 (2014).  [DOI: 10.1039/c3cc47502fExternal link] [CCHF]
75.Hashiguchi, Brian G; Konnick, Michael M.; Bischof, Steven M; Gustafson, Samantha J.; Devarajan, Deepa; Gunsalus, Niles; Ess, Daniel H; and Periana, Roy A  Main-Group Compounds Selectively Oxidize Mixtures of Methane,Ethane, and Propane to Alcohol Ethers  Science, 343, 1232-1237 (2014).  [DOI: 10.1126/science.1249357External link] [CCHF]
76.Hintermair, Ulrich; Campos, Jésus; Brewster, Timothy P.; Pratt, Lucas M.; Schley, Nathan D.; and Crabtree, Robert H.  Hydrogen-Transfer Catalysis with Cp*IrIII Complexes: The Influence of the Ancillary Ligands  ACS Catalysis, 4, 99-108 (2014).  [DOI: 10.1021/cs400834qExternal link] [CCHF]
77.Huang, Xiongyi; Liu, Wei; Ren, Hong; Neelamegam, Ramesh; Hooker, Jacob M.; and Groves, John T  Late Stage Benzylic C-H Fluorination with[18F]Fluoride for PET Imaging  J Am Chem Soc, , (2014).  [DOI: 10.1021/ja5039819External link] [CCHF]
78.Joglekar, Madhura; Pylypenko, Svitlana; Otting, Megan M.; Valenstein, Justin S.; and Trewyn, Brian G.  A universal and versatile route for selective covalent tethering of single-site catalyst and functional grops on the surface of ordered mesoporous carbons  Chem. Mater., , (2014).  [DOI: 10.1021/cm500528uExternal link] [CCHF]
79.Liu, Wei-Guang; Sberegaeva, Anna; Nielsen, Robert J; Goddard, III, William A. ; and Vedernikov, Andrei N.  Mechanism of O2 Activation and Methanol Production by (Di(2-pyridyl)methanesulfonate)PtIIMe(OHn)(2-n)- Complex from Theory with Validation from Experiment  J. Am. Chem Soc., 136, 2335-2341 (2014).  [DOI: 10.1021/ja409036cExternal link] [CCHF]
80.O'Reilly, Matthew E.; Pahls, Dale R.; Webb, Joanna R; Boaz, Nicholas C.; Majumdar, Subhojit; Hoff, Carl D.; Groves, John T; Cundari, Thomas R; and Gunnoe, T. Brent  Reductive Functionalization of a Rh(III)-methyl Bond by Electronic Modification of the Supporting Ligand  Dalton Trans., 43, 8273-8281 (2014).  [DOI: 10.1039/C4DT00234BExternal link] [CCHF]
81.Pahls, Dale R.; Groves, John T; Gunnoe, T. Brent; and Cundari, Thomas R  Theoretical Study of Reductive Functionalization of Methyl Ligands of Group 9 Complexes Supported by Two Bipyridyl Ligands: A Key Step in Catalytic Hydrocarbon Functionalization  Organometallics, 33, 1936-1944 (2014).  [DOI: 10.1021/om4010093External link] [CCHF]
82.Pardue, Daniel B.; Mei, Jiajun; Cundari, Thomas R; and Gunnoe, T. Brent  Density Functional Theory Study of Oxygen-Atom Insertion into Metal-Methyl Bonds of Iron(II), Ruthenium(II), and Osmium(II) Complexes: Study of Metal-Mediated C-O Bond Formation  Inorg. Chem., 53, 2968-2975 (2014).  [DOI: 10.1021/ic402759wExternal link] [CCHF]
83.Prince, Bruce M.; Gunnoe, T. Brent; and Cundari, Thomas R  Oxy-functionalization of Group 9 and 10 Transition Metal Methyl Ligands: Use of Pyridine-based Hemi-labile Ligands  Dalton Trans., 20, 7608-7614 (2014).  [DOI: 10.1039/C4DT00371CExternal link] [CCHF]
84.Sberegaeva, Anna; Liu, Wei-Guang; Nielsen, Robert J; Goddard, William A.; and Vedernikov, Andrei N.  Mechanistic Study of the Oxidation of a Methyl Platinum (II) Complex with O2 in Water: PtIIMe-to- PtIVMe and PtIIMe-to-PtIVMe2 Reactivity  J. Am. Chem Soc., , (2014).  [DOI: 10.1021/ja501213wExternal link] [CCHF]
85.Chisholm, Claire; Hattar, K.; and Minor, Andrew M  In Situ TEM Concurrent and Successive Au Self-Ion Irradiation and He Implantation  Materials Transactions, JIM, 55, 418-422 (2014).  [DOI: 10.2320/matertrans.MD201316External link] [CDP]
86.Khan, S. N. ; and Johnson, Duane D.  Lifshitz Transition and Chemical Instabilities in Ba1−xKxFe2As2 Superconductors  Phys. Rev. Lett., 112, 156401 (2014).  [DOI: 10.1103/PhysRevLett.112.156401External link] [CDP]
87.Perera, Dilina; Landau, David P.; Nicholson, D. M.; Stocks, G. Malcolm; Eisenbach, M.; Yin, Junqi; and Brown, G.  Combined molecular dynamics-spin dynamics simulations of bcc iron  Journal of Physics: Conference Series, 487, 012007 (2014).  [DOI: 10.1088/1742-6596/487/1/012007External link] [CDP]
88.Perera, Dilina; Landau, David P.; Nicholson, D. M.; Stocks, G. Malcolm; Eisenbach, M.; Yin, Junqi; and Brown, G.  Phonon-magnon interactions in body centered cubic iron: A combined molecular and spin dynamics study  Journal of Applied Physics, 115, 17D124 (2014).  [DOI: 10.1063/1.4863488External link] [CDP]
89.Akselrod, Gleb M.; Deotare, Parag B.; Thompson, Nicholas J.; Lee, Jiye; Tisdale, William A.; Baldo, Marc A.; Menon, Vinod M.; and Bulovic, Vladimir  Visualization of exciton transport in ordered and disordered molecular solids  Nature Communications, 5, 3646 (2014).  [DOI:External link] [CE]
90.Akselrod, Gleb M.; Prins, Ferry; Poulikakos, Lisa V.; Lee, Elizabeth M. Y.; Weidman, Mark C.; Mork, A. Jolene; Willard, Adam P.; Bulovic, Vladimir; and Tisdale, William A.  Subdiffusive Exciton Transport in Quantum Dot Solids  Nano Lett., , (2014).  [DOI: 10.1021/nl501190sExternal link] [CE]
91.Asbahi, Mohamed; Mehraeen, Shafigh; Lim, Kevin T. P.; Wang, Fuke; Cao, Jianshu; Tan, Mei Chee; and Yang, Joel K. W.  Template-Induced Structure Transition in Sub-10 nm Self-Assembling Nanoparticles  Nano Lett., , (2014).  [DOI: 10.1021/nl5004976External link] [CE]
92.Cerrillo, J.; and Cao, Jianshu  Non-Markovian Dynamical Maps: Numerical Processing of Open Quantum Trajectories  Phys. Rev. Lett., 112, 110401 (2014).  [DOI: 10.1103/PhysRevLett.112.110401External link] [CE]
93.Chen, C.; Chuang, Chern; Cao, Jianshu; Ball, V.; Ruch, D.; and Buehler, M. J.  Excitonic effects from geometric order and disorder explain broadband optical absorption in eumelanin  Nature Communications, accepted, NA (2014).  [DOI: NAExternal link] [CE]
94.Chesin, Jordan P.; and Gradečak, Silvija  Errata: Comparing directed efficiency of III-nitride nanowire light-emitting diodes  Journal of Nanophotonics, 8, 089998-089998 (2014).  [DOI: 10.1117/1.JNP.8.089998External link] [CE]
95.Chuang, Chern; Knoester, J.; and Cao, Jianshu  Scaling Relations and Optimization of Excitonic Energy Transfer Rates between One-Dimensional Molecular Aggregates  J. Phys. Chem. B,, accepted, Article ASAP (2014).  [DOI: 10.1021/jp4124502External link] [CE]
96.Cui, Jian; Beyler, Andrew P.; Bischof, Thomas S.; Wilson, Mark W. B.; and Bawendi, Moungi G.  Deconstructing the photon stream from single nanocrystals: from binning to correlation  Chem. Soc. Rev., 43, 1287-1310 (2014).  [DOI: 10.1039/C3CS60330JExternal link] [CE]
97.Eisele, D. M. ; Arias, Dylan H.; Fu, X.; Bloemsma, E. A.; Steiner, Colby; Jensen, Russell; Rebentrost, P.; Eisele, H.; Lloyd, S.; Tokmakoff, A.; Knoester, J.; Nicastro, D.; Nelson, Keith A; and Bawendi, Moungi G.  Robust Excitons in Soft Supramolecular Nanotubes  PNAS, accepted, NA (2014).  [DOI: NAExternal link] [CE]
98.Huh, Joonsuk; Saikin, Semion K.; Brookes, Jennifer C.; Valleau, Stephanie; Fujita, Takatoshi; and Aspuru-Guzik, Alan  Atomistic Study of Energy Funneling in the Light-Harvesting Complex of Green Sulfur Bacteria  J. Am. Chem. Soc., 136, 2048-2057 (2014).  [DOI: 10.1021/ja412035qExternal link] [CE]
99.Kim, YongJoo; Chen, Hsieh; and Alexander-Katz, Alfredo  Free energy landscape and localization of nanoparticles at block copolymer model defects  Soft Matter, 10, 3284-3291 (2014).  [DOI: 10.1039/C3SM52640BExternal link] [CE]
100.Lu, Ming-Yen; Zhou, Xiang; Chiu, Cheng-Yao; Crawford, Samuel; and Gradečak, Silvija  From GaN to ZnGa2O4 through a Low-Temperature Process: Nanotube and Heterostructure Arrays  ACS Appl. Mater. Interfaces, 6, 882-887 (2014).  [DOI: 10.1021/am404158fExternal link] [CE]
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