How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels
暂无分享,去创建一个
Andrew A. Peterson | Jens K. Nørskov | Frank Abild-Pedersen | Felix Studt | Jan Rossmeisl | J. Nørskov | F. Abild‐Pedersen | F. Studt | J. Rossmeisl | A. Peterson | F. Abild-Pedersen
[1] D. Vanderbilt,et al. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism. , 1990, Physical review. B, Condensed matter.
[2] Matthew Neurock,et al. First-Principles Analysis of the Initial Electroreduction Steps of Oxygen over Pt(111) , 2009 .
[3] A. Anderson,et al. Oxygen reduction on platinum electrodes in base: Theoretical study , 2007 .
[4] A. Sammells,et al. Evidence for Formaldehyde, Formic Acid, and Acetaldehyde as Possible Intermediates during Electrochemical Carbon Dioxide Reduction at Copper , 1989 .
[5] J. J. Kim,et al. Reduction of CO2 and CO to methane on Cu foil electrodes , 1988 .
[6] J. Nørskov,et al. First principles calculations and experimental insight into methane steam reforming over transition metal catalysts , 2008 .
[7] C. Au,et al. A density functional study of CO2 adsorption on the (100) face of Cu(9,4,1) cluster model , 1997 .
[8] Y. Hori,et al. Electroreduction of carbon monoxide to methane and ethylene at a copper electrode in aqueous solutions at ambient temperature and pressure , 1987 .
[9] Egill Skúlason,et al. Modeling the electrified solid-liquid interface , 2008 .
[10] J. Nørskov,et al. Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals , 1999 .
[11] Joost VandeVondele,et al. The electron attachment energy of the aqueous hydroxyl radical predicted from the detachment energy of the aqueous hydroxide anion. , 2009, Journal of the American Chemical Society.
[12] John Newman,et al. Design of an Electrochemical Cell Making Syngas ( CO + H2 ) from CO2 and H2O Reduction at Room Temperature , 2007 .
[13] N. Lewis,et al. Powering the planet: Chemical challenges in solar energy utilization , 2006, Proceedings of the National Academy of Sciences.
[14] Anne C. Co,et al. A review of the aqueous electrochemical reduction of CO2 to hydrocarbons at copper , 2006 .
[15] G. Karlberg,et al. Density-functional based modeling of the intermediate in the water production reaction on Pt(111). , 2004, Physical review letters.
[16] M. Koper. Molecular-Level Modeling of Anode and Cathode Electrocatalysis for PEM Fuel Cells , 2009 .
[17] R. Car,et al. The electroreduction of hydrogen on platinum(111) in acidic media , 2002 .
[18] Manos Mavrikakis,et al. On the mechanism of low-temperature water gas shift reaction on copper. , 2008, Journal of the American Chemical Society.
[19] Egill Skúlason,et al. The oxygen reduction reaction mechanism on Pt(111) from density functional theory calculations , 2010 .
[20] Guichang Wang,et al. Cluster and periodic DFT calculations of adsorption and activation of CO2 on the Cu(hkl) surfaces , 2004 .
[21] M. Mavrikakis,et al. Interaction of Carbon Dioxide with Cu Overlayers on Pt(111) , 2008 .
[22] A. Gross,et al. Water bilayer on the Pd/Au(1 1 1) overlayer system: Coadsorption and electric field effects , 2005 .
[23] W. Green,et al. Computational Investigation of Thermochemistry and Kinetics of Steam Methane Reforming on Ni(111) under Realistic Conditions , 2009 .
[24] T. Arias,et al. Iterative minimization techniques for ab initio total energy calculations: molecular dynamics and co , 1992 .
[25] Akira Murata,et al. PRODUCTION OF METHANE AND ETHYLENE IN ELECTROCHEMICAL REDUCTION OF CARBON DIOXIDE AT COPPER ELECTRODE IN AQUEOUS HYDROGENCARBONATE SOLUTION , 1986 .
[26] Toshio Tsukamoto,et al. Electrocatalytic process of CO selectivity in electrochemical reduction of CO2 at metal electrodes in aqueous media , 1994 .
[27] Burke,et al. Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.
[28] J Rossmeisl,et al. Estimations of electric field effects on the oxygen reduction reaction based on the density functional theory. , 2007, Physical chemistry chemical physics : PCCP.
[29] A. Bard,et al. Electrochemical and Surface Studies of Carbon Dioxide Reduction to Methane and Ethylene at Copper Electrodes in Aqueous Solutions , 1989 .
[30] H. Jónsson,et al. Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode , 2004 .
[31] C. Cabrera,et al. Voltammetric study of CO2 reduction at Cu electrodes under different KHCO3 concentrations, temperatures and CO2 pressures , 2001 .
[32] J. Nørskov,et al. Universality in Heterogeneous Catalysis , 2002 .
[33] Zhipan Liu,et al. Surface Phase Diagram and Oxygen Coupling Kinetics on Flat and Stepped Pt Surfaces under Electrochemical Potentials , 2009 .
[34] Karsten W. Jacobsen,et al. An object-oriented scripting interface to a legacy electronic structure code , 2002, Comput. Sci. Eng..