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.

2301.Manz, Thomas A. ; and Sholl, David S.  Methods for Computing Accurate Atomic Spin Moments for COllinear and Noncollinear Magnetism in Periodic and Nonperiodic Materials  J. Chem. Theory Comput., 7(12), 4146-4164 (2011).  [DOI: 10.1021/ct200539nExternal link] [CALCD]
2302.Mayernick, Adam D.; Li, Rui; Dooley, Kerry M.; and Janik, Michael J.  Energetics and mechanism for H2S adsorption by ceria-lanthanide mixed oxides: Implications for the desulfurization of biomass gasifier effluents  J. Phys. Chem C, 115(49), 24178-24188 (2011).  [DOI: 10.1021/jp206827nExternal link] [CALCD]
2303.Mayernick, Adam D.; and Janik, Michael J.  Methane Oxidation on Pd-Ceria: A DFT Study of the Combustion Mechanism over Pd, PdO and Pd-ceria Sites  Journal of Catalysis, 278, 16-25 (2011).  [DOI: 10.1016/j.jcat.2010.11.006External link] [CALCD]
2304.Parkinson, Gareth S.; Novotny, Zbynek; Jacobson, Peter; Schmid, Michael; and Diebold, Ulrike  Room Temperature Water Splitting at the Surface of Magnetite  JACS, 133, 12650-12655 (2011).  [DOI: 10.1021/ja203432eExternal link] [CALCD]
2305.Parkinson, Gareth S.; Novotny, Zbynek; Jacobson, Peter; Schmid, Michael; and Diebold, Ulrike  A metastable Fe(A) termination at the Fe3O4(001) surface  Surface Science, 605, L42-L45 (2011).  [DOI: 10.1016/j.susc.2011.05.018External link] [CALCD]
2306.Subramanian, Nachal D.; Kumar, Challa S.S.R.; Watanabe, Kazuo; Fischer, Peter; Tanaka, Ryo; and Spivey, James J.  A DRIFTS study of CO adsorption and hydrogenation on Cu-based core-shell nanoparticles  Catal. Sci. Technol., 2, 621-631 (2011).  [DOI: 10.1039/c2cy00413eExternal link] [CALCD]
2307.Subramanian, Nachal D.; Moreno, Juana; Spivey, James J.; and Kumar, Challa S.S.R.  Copper Core-Porous Manganese Oxide Shell Nanoparticles  J. Phys. Chem. C, 115, 14500-14506 (2011).  [DOI: 10.1021/jp202215kExternal link] [CALCD]
2308.Watanabe, Taku; Manz, Thomas A. ; and Sholl, David S.  Accurate Treatment of Electrostatics during Molecular Adsorption in Nanoporous Crystals without Assigning Point Charges to Framework Atoms  Journal of Physical Chemistry C, 115, 4824-4836 (2011).  [DOI: 10.1021/jp201075uExternal link] [CALCD]
2309.Xu, Y.; Semidey-Flecha, Lymarie; Liu, L.; Zhou, Zihao; and Goodman, D. Wayne  Exploring the Structure and Chemical Activity of 2-D Gold Islands on Graphene Moire/Ru(0001)  Faraday Discussions, 152, 267-276 (2011).  [DOI: 10.1039/c1fd00030fExternal link] [CALCD]
2310.Albert, Victor V.; Badaeva, Ekaterina; Kilina, Svetlana; Sykora, Milan; and Tretiak, Sergei  The Frenkel exciton Hamiltonian for functionalized Ru(II)–bpy complexes  J. Lumin., 131, 1739-1746 (2011).  [DOI: 10.1016/j.jlumin.2011.04.009External link] [CASP]
2311.Albert, Victor V.; Ivanov, Sergei A.; Tretiak, Sergei; and Kilina, Svetlana  Electronic Structure of Ligated CdSe Clusters: Dependence on DFT Methodology  J. Phys. Chem. C, 115, 15793–15800 (2011).  [DOI: 10.1021/jp202510zExternal link] [CASP]
2312.Blackburn, Jeffrey L.; Chappell, Helen; Luther, Joseph M; Nozik, Arthur J; and Johnson, Justin C  Correlation between Photooxidation and the Appearance of Raman Scattering Bands in Lead Chalcogenide Quantum Dots  J. Phys. Chem. C, 2, 599–603 (2011).  [DOI: 10.1021/jz2000326External link] [CASP]
2313.Chappell, Helen; Hughes, Barbara K.; Beard, Matthew C; Nozik, Arthur J; and Johnson, Justin C  Emission Quenching in PbSe Quantum Dot Arrays by Short-Term Air Exposure  J. Phys. Chem. Lett., 2, 889–893 (2011).  [DOI: 10.1021/jz2001979External link] [CASP]
2314.Chen, Hsiang-Yu; Hou, Jianhui; Dayal, Smita; Huo, Lijun; Kopidakis, Nikos; Beard, Matthew C; and Luther, Joseph M  A p-Type Quantum Dot/Organic Donor:Acceptor Solar-Cell Structure for Extended Spectral Response  Adv. Energy Mater., 1, 528-533 (2011).  [DOI: 10.1002/aenm.201100190External link] [CASP]
2315.Fischer, Sean A.; Crotty, Angela M.; Kilina, Svetlana V.; Ivanov, Sergei A.; and Tretiak, Sergei  Passivating ligand and solvent contributions to the electronic properties of semiconductor nanocrystals  Nanoscale, 4, 904-914 (2011).  [DOI: 10.1039/C2NR11398HExternal link] [CASP]
2316.Fofang, Nche T.; Grady, Nathaniel K.; Fan, Zhiyuan; Govorov, Alexander; and Halas, Naomi J.  Plexciton Dynamics: Exciton−Plasmon Coupling in a J-Aggregate−Au Nanoshell Complex Provides a Mechanism for Nonlinearity  Nano Lett., 11, 1556–1560 (2011).  [DOI: 10.1021/nl104352jExternal link] [CASP]
2317.Galland, Christophe; Ghosh, Yagnaseni; Steinbruck, Andrea; Sykora, Milan; Hollingsworth, Jennifer A.; Klimov, Victor I.; and Htoon, Han  Two types of luminescence blinking revealed by spectroelectrochemistry of single quantum dots  Nature, 479, 203–207 (2011).  [DOI: 10.1038/nature10569External link] [CASP]
2318.Gao, Jianbo; Perkins, Craig L.; Luther, Joseph M; Hanna, Mark C.; Chen, Hsiang-Yu; Semonin, Octavi Escala; Nozik, Arthur J; Ellingson, Randy J.; and Beard, Matthew C  n-Type Transition Metal Oxide as a Hole Extraction Layer in PbS Quantum Dot Solar Cells  Nano Lett., 11, 3263-3266 (2011).  [DOI: 10.1021/nl2015729External link] [CASP]
2319.Gao, Jianbo; Luther, Joseph M; Semonin, Octavi Escala; Ellingson, Randy J.; Nozik, Arthur J; and Beard, Matthew C  Quantum Dot Size Dependent J−V Characteristics in Heterojunction ZnO/PbS Quantum Dot Solar Cells  Nano Lett., 11, 1002–1008 (2011).  [DOI: 10.1021/nl103814gExternal link] [CASP]
2320.Garcia-Santamaria, Florencio; Brovelli, Sergio; Viswanatha, Ranjani; Hollingsworth, Jennifer A.; Htoon, Han; Crooker, Scott A.; and Klimov, Victor I.  Breakdown of Volume Scaling in Auger Recombination in CdSe/CdS Heteronanocrystals: The Role of the Core−Shell Interface  Nano Lett., 11, 687–693 (2011).  [DOI: 10.1021/nl103801eExternal link] [CASP]
2321.Holman, Zachary C.; and Kortshagen, Uwe R.  Plasma production of nanodevice-grade semiconductor nanocrystals  J. Phys. D: Appl. Phys., 44, 174009 (2011).  [DOI: 10.1088/0022-3727/44/17/174009External link] [CASP]
2322.Holman, Zachary C.; and Kortshagen, Uwe R.  Nanocrystal Inks without Ligands: Stable Colloids of Bare Germanium Nanocrystals  Nano Lett., 11, 2133-2136 (2011).  [DOI: 10.1021/nl200774yExternal link] [CASP]
2323.Ihly, Rachelle; Tolentino, Jason; Liu, Yao; Gibbs, Markelle; and Law, Matt  The Photothermal Stability of PbS Quantum Dot Solids  ACS Nano, 5, 8175–8186 (2011).  [DOI: 10.1021/nn2033117External link] [CASP]
2324.King, Nicholas S.; Li, Yang; Ayala-Orozco, Ciceron; Brannan, Travis; Nordlander, Peter; and Halas, Naomi J.  Angle- and Spectral-Dependent Light Scattering from Plasmonic Nanocups  ACS Nano, 5, 7254–7262 (2011).  [DOI: 10.1021/nn202086uExternal link] [CASP]
2325.Koposov, Alexey Y.; Szymanski, Paul; Cardolaccia, Thomas; Meyer, Thomas J.; Klimov, Victor I.; and Sykora, Milan  Electronic Properties and Structure of Assemblies of CdSe Nanocrystal Quantum Dots and Ru-Polypyridine Complexes Probed by Steady State and Time-Resolved Photoluminescence  Adv. Funct. Mater., 21, 3159-3168 (2011).  [DOI: 10.1002/adfm.201100415External link] [CASP]
2326.Koposov, Alexey Y.; Cardolaccia, Thomas; Albert, Victor V.; Badaeva, Ekaterina; Kilina, Svetlana; Meyer, Thomas J.; Tretiak, Sergei; and Sykora, Milan  Formation of Assemblies Comprising Ru–Polypyridine Complexes and CdSe Nanocrystals Studied by ATR-FTIR Spectroscopy and DFT Modeling  Langmuir, 27, 8377–8383 (2011).  [DOI: 10.1021/la200531sExternal link] [CASP]
2327.Li, Liang; Pandey, Anshu; Werder, Donald J. ; Khanal, Bishnu P.; Pietryga, Jeffrey M.; and Klimov, Victor I.  Efficient Synthesis of Highly Luminescent Copper Indium Sulfide-Based Core/Shell Nanocrystals with Surprisingly Long-Lived Emission  J. Am. Chem. Soc., 133, 1176–1179 (2011).  [DOI: 10.1021/ja108261hExternal link] [CASP]
2328.Liu, Yao; Gibbs, Markelle; Perkins, Craig L.; Tolentino, Jason; Zarghami, Mohammad H.; Bustamante, Jr., J.; and Law, Matt  Robust, functional nanocrystal solids by infilling with atomic layer deposition  Nano Lett., 11, 5349-5355 (2011).  [DOI: 10.1021/nl2028848External link] [CASP]
2329.Malko, Anton V.; Park, Young-Shin; Sampat, Siddharth; Galland, Christophe; Vela, Javier; Chen, Yongfen; Hollingsworth, Jennifer A.; Klimov, Victor I.; and Htoon, Han  Pump-Intensity- and Shell-Thickness-Dependent Evolution of Photoluminescence Blinking in Individual Core/Shell CdSe/CdS Nanocrystals  Nano Lett., 11, (2011).  [DOI: 10.1021/nl2025272External link] [CASP]
2330.Nagpal, Prashant; and Klimov, Victor I.  Role of mid-gap states in charge transport and photoconductivity in semiconductor nanocrystal films  Nat. Commun., 2, 486 (2011).  [DOI: 10.1038/ncomms1492External link] [CASP]
2331.Padilha, Lazaro A.; Robel, Istvan; Lee, Doh C.; Nagpal, Prashant; Pietryga, Jeffrey M.; and Klimov, Victor I.  Spectral Dependence of Nanocrystal Photoionization Probability: The Role of Hot-Carrier Transfer  ACS Nano, 5, 5045–5055 (2011).  [DOI: 10.1021/nn201135kExternal link] [CASP]
2332.Park, Young-Shin; Malko, Anton V.; Vela, Javier; Chen, Yongfen; Ghosh, Yagnaseni; Garcia-Santamaria, Florencio; Hollingsworth, Jennifer A.; Klimov, Victor I.; and Htoon, Han  Near-Unity Quantum Yields of Biexciton Emission from CdSe=CdS Nanocrystals Measured Using Single-Particle Spectroscopy  Phys. Rev. Lett., 106, 187401 (2011).  [DOI: 10.1103/PhysRevLett.106.187401External link] [CASP]
2333.Semonin, Octavi Escala; Luther, Joseph M; Choi, Sukgeun; Chen, Hsiang-Yu; Gao, Jianbo; Nozik, Arthur J; and Beard, Matthew C  Peak External Photocurrent Quantum Efficiency Exceeding 100% via MEG in a Quantum Dot Solar Cell  Science, 334, 1530-1533 (2011).  [DOI: 10.1126/science.1209845External link] [CASP]
2334.Stewart, John T.; Padilha, Lazaro A.; Qazilbash, M. M.; Pietryga, Jeffrey M.; Midgett, Aaron G; Luther, Joseph M; Beard, Matthew C; Nozik, Arthur J; and Klimov, Victor I.  Comparison of carrier multiplication yields in PbS and PbSe nanocrystals: The role of competing energy-loss processes  Nano Lett., 12, 622–628 (2011).  [DOI: 10.1021/nl203367mExternal link] [CASP]
2335.Viswanatha, Ranjani; Brovelli, Sergio; Pandey, Anshu; Crooker, Scott A.; and Klimov, Victor I.  Copper-Doped Inverted Core/Shell Nanocrystals with “Permanent” Optically Active Holes  Nano Lett., 11, 4753–4758 (2011).  [DOI: 10.1021/nl202572cExternal link] [CASP]
2336.Yang, Ping; Tretiak, Sergei; and Ivanov, Sergei A.  Influence of Surfactants and Charges on CdSe Quantum Dots  J. Cluster Sci., 22, 405-431 (2011).  [DOI: 10.1007/s10876-011-0398-yExternal link] [CASP]
2337.Zhang, Yu; Barhoumi, Aoune; Lassiter, J. Britt; and Halas, Naomi J.  Orientation-Preserving Transfer and Directional Light Scattering from Individual Light-Bending Nanoparticles  Nano Lett., 11, 1838–1844 (2011).  [DOI: 10.1021/nl2008357External link] [CASP]
2338.Zuloaga, Jorge; and Nordlander, Peter  On the Energy Shift between Near-Field and Far-Field Peak Intensities in Localized Plasmon Systems  Nano Lett., 11, 1280–1283 (2011).  [DOI: 10.1021/nl1043242External link] [CASP]
2339.Baldychev, Ivan; Javadekar, Ashay; Buttrey, Doug J; Vohs, J. M.; and Gorte, R. J.  A study of the redox properties and methanol oxidation rates for molybdenum-based mixed oxides  Appl. Catal. A, 394, 287-293 (2011).  [DOI: 10.1016/j.apcata.2011.01.016External link] [CCEI]
2340.Caratzoulas, S.; Courtney, Tim; and Vlachos, Dion G.  Hybrid Quantum Mechanics/Molecular Mechanics-Based Molecular Dynamics Simulation of Acid-Catalyzed Dehydration of Polyols in Liquid Water  J Phys. Chem. A, 115, 8816-8821 (2011).  [DOI: 10.1021/jp203436eExternal link] [CCEI]
2341.Caratzoulas, S.; and Vlachos, Dion G.  Converting fructose to 5-hydroxymethylfurfural: A quantum mechanics/molecular mechanics study of the mechanism and energetics  Carbohyd. Res., 346, 664–672 (2011).  [DOI: 10.1016/j.carres.2011.01.029External link] [CCEI]
2342.Carlson, T. R.; Cheng, Y.-T.; Jae, J.; and Huber, G. W.  Production of green aromatics and olefins by catalytic fast pyrolysis of wood sawdust  Energy Environ. Sci., 4(1), 145-161 (2011).  [DOI: 10.1039/c0ee00341gExternal link] [CCEI]
2343.Chen, Ying; Salciccioli, Michael; and Vlachos, Dion G.  An Efficient Reaction Pathway Search Method Applied to the Decomposition of Glycerol on Platinum   J. Phys. Chem C, 115(38), 18707-18720 (2011).  [DOI: 10.1021/jp205483mExternal link] [CCEI]
2344.Chen, Huiyong; Wydra, James; Zhang, Xueyi; Lee, Pyung-Soo; Wang, Zhuopeng; Fan, Wei; and Tsapatsis, Michael  Hydrothermal synthesis of zeolites with three dimensionally ordered mesoporous-imprinted (3DOm-i) structure  J. Am. Chem. Soc., 133(32), 12390-12393 (2011).  [DOI: 10.1021/ja2046815External link] [CCEI]
2345.Cheng, Yu-Ting; and Huber, George W.  Chemistry of Furan Conversion into Aromatics and Olefins over HZSM-5: A Model Biomass Conversion Reaction  ACS Catal., 1, 611-628 (2011).  [DOI: 10.1021/cs200103jExternal link] [CCEI]
2346.Choudhary, Vinit; Pinar, Ana B; Sandler, Stanley I; Vlachos, Dion G.; and Lobo, Raul F  Xylose Isomerization to Xylulose and Its Dehydration to Furfural in Aqueous Media  ACS Catal., 1, 1724-1728 (2011).  [DOI: 10.1021/cs200461tExternal link] [CCEI]
2347.Frenkel, Anatoly I; Yevick, Aaron; Cooper, Chana; and Vasic, Relja  Modeling the structure and composition of nanoparticles by extended X-Ray absorption fine-structure spectroscopy  Ann. Rev. Anal. Chem., 4(1), 23-39 (2011).  [DOI: 10.1146/annurev-anchem-061010-113906External link] [CCEI]
2348.Javadekar, Ashay; Jayakumar, A.; Gorte, R. J.; Vohs, J. M.; and Buttrey, Doug J  Characteristics of Molten Alloys as Anodes in Solid Oxide Fuel Cells  J. Electrochem. Soc., 158(12), B1472-B1478 (2011).  [DOI: 10.1149/2.006112jesExternal link] [CCEI]
2349.Jayakumar, A.; Kungas, R.; Roy, S.; Javadekar, A.; Buttrey, D. J.; Vohs, J. M.; and Gorte, R. J.  A Direct Carbon Fuel Cell with a Molten Antimony Anode  Energ. Environ. Sci., 4(10), 4133-4137 (2011).  [DOI: 10.1039/C1EE01863AExternal link] [CCEI]
2350.Jobic, H; Santander, Julian; Conner, Jr, W C; Wittaker, G; Giriat, G.; Harrison, A; Ollivier, J; and Auerbach, Scott M  Experimental Evidence of Selective Heating of Molecules Adsorbed in Nanopores under Microwave Radiation  Phys. Rev. Lett., 106(15), 157401(1-4) (2011).  [DOI: 10.1103/PhysRevLett.106.157401External link] [CCEI]
2351.Lonergan, William W; Wang, Tiefeng; Vlachos, Dion G.; and Chen, Jingguang  Effect of Oxide Support Surface Area on Hydrogenation Activity: Pt/Ni Bimetallic Catalysts Supported on Low and High Surface Area Al2O3 and ZrO2  Appl. Catal. A, 408(1-2), 87-95 (2011).  [DOI: 10.1016/j.apcata.2011.09.007External link] [CCEI]
2352.Lonergan, William W; Xing, X; Zheng, Renyang; Qi, Suitao; Huang, B; and Chen, Jingguang  Low-Temperature 1,3-Butadiene Hydrogenation over Supported Pt/3d/gamma-Al2O3 Bimetallic Catalysts  Catal. Today, 160, 61-69 (2011).  [DOI: 10.1016/j.cattod.2010.05.014External link] [CCEI]
2353.Mallon, Elizabeth E.; Babineau, Ian J; Kranz, Joshua I; Guefrachi, Yasmine; Siepmann, J Ilja; Bhan, Aditya; and Tsapatsis, Michael  Correlations for Adsorption of Oxygenates onto Zeolites from Aqueous Solutions  J Phys. Chem. B, 115 (39), 11431-11438 (2011).  [DOI: 10.1021/jp208143tExternal link] [CCEI]
2354.Marinkovic, N S; Wang, Q; Barrio, L; Ehrlich, S N; Khalid, S; Cooper, Chana; and Frenkel, Anatoly I  Combined in situ X-ray absorption and diffuse reflectance infrared spectroscopy: An attractive tool for catalytic investigations  Nucl. Instrum. Meth. A, 649(1), 204-206 (2011).  [DOI: 10.1016/j.nima.2010.11.079External link] [CCEI]
2355.Mpourmpakis, G.; Stamatakis, Michail; Herrmann, Stanley; Vlachos, Dion G.; and Andriotis, Antonis N  Predicting the adsorption behavior in bulk from metal clusters  Chem. Phys. Lett., 518, 99-103 (2011).  [DOI: 10.1016/j.cplett.2011.11.004External link] [CCEI]
2356.Mpourmpakis, G.; and Vlachos, D. G.  Computational-based catalyst design for thermochemical transformations  MRS Bull., 36(3), 211-215 (2011).  [DOI: 10.1557/mrs.2011.36External link] [CCEI]
2357.Nikolla, E; Roman-Leshkov, Yuriy; Moliner, Manuel; and Davis, Mark E.  “One-Pot” Synthesis of 5-(Hydroxymethyl)furfural from Carbohydrates using Tin-Beta Zeolite  ACS Catal., 1, 408-410 (2011).  [DOI: 10.1021/cs2000544External link] [CCEI]
2358.Qi, Suitao; Cheney, Beth A; Zheng, R.; Lonergan, William W; Yu, Weiting; and Chen, Jingguang  The effects of oxide supports on the low temperature hydrogenation activity of acetone over Pt/Ni bimetallic catalysts on SiO2, gamma-Al2O3 and TiO2  Appl. Catal. A, 393, 44-49 (2011).  [DOI: 10.1016/j.apcata.2010.11.023External link] [CCEI]
2359.Roman-Leshkov, Yuriy; and Davis, Mark E.  Activation of Carbonyl-Containing Molecules with Solid Lewis Acids in Aqueous Media  ACS Catal., 1(11), 1566-1580 (2011).  [DOI: 10.1021/cs200411dExternal link] [CCEI]
2360.Salciccioli, M.; and Vlachos, D. G.  Kinetic modeling of Pt catalyzed and computation-driven catalyst discovery for ethylene glycol decomposition  ACS Catal., 1(10), 1246-1256 (2011).  [DOI: 10.1021/cs2003593External link] [CCEI]
2361.Salciccioli, Michael; Stamatakis, Michail; Caratzoulas, S.; and Vlachos, Dion G.  A review of multiscale modeling of metal-catalyzed reactions: Mechanism development for complexity and emergent behavior  Chem. Eng. Sci., 66(19), 4319-4355 (2011).  [DOI: 10.1016/j.ces.2011.05.050External link] [CCEI]
2362.Salciccioli, Michael; Yu, Weiting; Barteau, Mark A; Chen, Jingguang; and Vlachos, Dion G.  Differentiation of O-H and C-H Bond Scission Mechanisms of Ethylene Glycol on Pt and Ni/Pt Using Theory and Isotopic Labeling Experiments  J. Am. Chem. Soc., 133(20), (2011).  [DOI: 10.1021/ja201801tExternal link] [CCEI]
2363.Varoon, Kumar; Zhang, Xueyi; Elyassi, Bahman; Brewer, Damien; Gettel, Melissa; Lee, J Alex; Maheshwari, Sundeep; Mittal, Anudha; Sung, Chun-Yi; Cococcioni, Matteo; Francis, Lorraine; McCormick, Alon; Mkhoyan, Andre; and Tsapatsis, Michael  Dispersible Exfoliated Zeolite Nanosheets and Their Application as a Selective Membrane  Science, 334(6052), 72-75 (2011).  [DOI: 10.1126/science.1208891External link] [CCEI]
2364.Xiong, Ruichang; Sandler, Stanley I; and Vlachos, Dion G.  Alcohol Adsorption onto Silicalite from Aqueous Solution  J Phys. Chem. C., 115(38), 18659-18669 (2011).  [DOI: 10.1021/jp205312kExternal link] [CCEI]
2365.Yang, Li; Sandler, Stanley I; Vlachos, Dion G.; Peng, Changjun; Liu, Honglai; and Hu, Ying  Adsorption and Diffusion of Methanol, Glycerol, and Their Mixtures in a Metal Organic Framework  Ind. Eng. Chem. Res., 50, 14084-14089 (2011).  [DOI: 10.1021/ie201807zExternal link] [CCEI]
2366.Yu, Weiting; Barteau, Mark A; and Chen, Jingguang  Glycolaldehyde as a Probe Molecule for Biomass-derivatives: Reaction of C-OH and C=O Functional Groups on Monolayer Ni Surfaces  J. Am. Chem. Soc., 133, 20528–20535 (2011).  [DOI: 10.1021/ja208786fExternal link] [CCEI]
2367.Zhang, Huiyan; Cheng, Yu-Ting; Vispute, Tushar; Xiao, R; and Huber, George W.  Catalytic conversion of biomass-derived feedstocks into olefins and aromatics with ZSM-5: the hydrogen to carbon effective ratio  Energ. Environ. Sci., 4(6), 2297-2307 (2011).  [DOI: 10.1039/C1EE01230DExternal link] [CCEI]
2368.Austin, Rachel Narehood; and Groves, John T  Alkane-oxidizing metalloenzymes in the carbon cycle  Metallomics, 3, 775-787 (2011).  [DOI: 10.1039/c1mt00048aExternal link] [CCHF]
2369.Bhalla, Gaurav; Bischof, Steven M; Ganesh, Somesh K; Liu, Xiang Y; Jones, C J; Borzenko, Andrey; Tenn, William J; Ess, Daniel H; Hashiguchi, Brian G; Lokare, Kapil S; Leung, Chin Hin; Oxgaard, Jonas; Goddard, William A; and Periana, Roy A  Mechanism of Efficient Anti-Markovnikov Olefin Hydroarylation Catalyzed by Homogeneous Ir(III) Complexes  Green Chemistry, 13, 69-81 (2011).  [DOI: 10.1039/C0GC00330AExternal link] [CCHF]
2370.Bischof, Steven M; Cheng, Mu-Jeng; Nielsen, Robert J; Gunnoe, T. Brent; Goddard, William A; and Periana, Roy A  Functionalization of Rhenium Aryl Bonds by O-Atom Transfer  Organometallics, 30, 2079-2082 (2011).  [DOI:External link] [CCHF]
2371.Brennaman, Kyle M; Song, Wenjing; Patrocinio, Antonio O T; Jurss, Jonah W.; Concepcion, Javier J; Hoertz, Paul G; Traub, Matthew C; Murakami Iha, Neyde Y; and Meyer, Thomas J  Interfacial Electron Transfer Dynamics Following Laser Flash Photolysis of [Ru(bpy)2((4,4'-PO3H2)2bpy)]2+ in TiO2 Nanoparticle Films in Aqueous Environments  ChemSusChem, 4, 216-227 (2011).  [DOI: 10.1002/cssc.201000356External link] [CCHF]
2372.Brewster, Timothy P; Blakemore, James D; Schley, Nathan D; Incarvito, Christopher D; Hazari, Nilay; Brudvig, Gary W; and Crabtree, Robert H  An Iridium(IV) Species, [Cp*Ir(NHC)Cl]+, Related to a Water-Oxidation Catalyst  Organometallics, 30, 965-973 (2011).  [DOI: 10.1021/om101016sExternal link] [CCHF]
2373.Chen, Zuofeng; Vannucci, Aaron K.; Concepcion, Javier J; Jurss, Jonah W.; and Meyer, Thomas J  Proton-Coupled Electron Transfer at Modified Electrodes by Multiple Pathways  Proc. Nat. Acad. Sci. USA, 108, E1461-E1469 (2011).  [DOI: 10.1073/pnas.1115769108External link] [CCHF]
2374.Cheng, Mu-Jeng; Nielsen, Robert J; Tahir-Kheli, Jamil; and Goddard, William A  The magnetic and electronic structure of vanadyl pyrophosphate from density functional theory  Phys. Chem. Chem. Phys., 13, 9831-9838 (2011).  [DOI: 10.1039/C0CP02777DExternal link] [CCHF]
2375.Crabtree, Robert H  Multifunctional Ligands in Transition Metal Catalysis  New J. Chem., 35, 18-23 (2011).  [DOI: 10.1039/C0NJ00776EExternal link] [CCHF]
2376.Crabtree, Robert H  An Organometallic Future in Green and Energy Chemistry?  Organometallics, 30, 17-19 (2011).  [DOI: 10.1021/om1009439External link] [CCHF]
2377.Cundari, Thomas R; and Prince, Bruce M.  DFT study of the reactivity of methane and dioxygen with d10-L2M complexes  Journal of Organometallic Chemistry, 696, 3982-3986 (2011).  [DOI: 10.1016/j.jorganchem.2011.06.015External link] [CCHF]
2378.Ellis, Corey S.; and Ess, Daniel H  Computational Study on the Mechanism and Selectivity of C–H Bond Activation and Dehydrogenative Functionalization in the Synthesis of Rhazinilam  J. Org. Chem., 76, 7180-7185 (2011).  [DOI: 10.1021/jo201234fExternal link] [CCHF]
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