Dramatic differences in carbon dioxide adsorption and initial steps of reduction between silver and copper

[1]  R. Quintero‐Bermudez,et al.  Steering post-C–C coupling selectivity enables high efficiency electroreduction of carbon dioxide to multi-carbon alcohols , 2018, Nature Catalysis.

[2]  Wilson A. Smith,et al.  In Situ Fabrication and Reactivation of Highly Selective and Stable Ag Catalysts for Electrochemical CO2 Conversion , 2018, ACS energy letters.

[3]  J. Rossmeisl,et al.  Enhanced Carbon Dioxide Electroreduction to Carbon Monoxide Over Defect Rich Plasma-Activated Silver Catalysts , 2018 .

[4]  S. Back,et al.  Understanding the Effects of Au Morphology on CO2 Electrocatalysis , 2018 .

[5]  Tao Zhang,et al.  Atomically dispersed Ni(i) as the active site for electrochemical CO2 reduction , 2018 .

[6]  Jason D. Goodpaster,et al.  Mechanistic insights into electrochemical reduction of CO2 over Ag using density functional theory and transport models , 2017, Proceedings of the National Academy of Sciences.

[7]  Jinghua Wu,et al.  CO2 Reduction: From the Electrochemical to Photochemical Approach , 2017, Advanced science.

[8]  J. Rossmeisl,et al.  Enhanced Carbon Dioxide Electroreduction to Carbon Monoxide over Defect-Rich Plasma-Activated Silver Catalysts. , 2017, Angewandte Chemie.

[9]  W. Goddard,et al.  Nature of the Active Sites for CO Reduction on Copper Nanoparticles; Suggestions for Optimizing Performance. , 2017, Journal of the American Chemical Society.

[10]  M. Klein,et al.  Janus dendrimersomes coassembled from fluorinated, hydrogenated, and hybrid Janus dendrimers as models for cell fusion and fission , 2017, Proceedings of the National Academy of Sciences.

[11]  W. Goddard,et al.  Subsurface oxide plays a critical role in CO2 activation by Cu(111) surfaces to form chemisorbed CO2, the first step in reduction of CO2 , 2017, Proceedings of the National Academy of Sciences.

[12]  W. Goddard,et al.  Cu metal embedded in oxidized matrix catalyst to promote CO2 activation and CO dimerization for electrochemical reduction of CO2 , 2017, Proceedings of the National Academy of Sciences.

[13]  Wei Liu,et al.  Atomic layer confined vacancies for atomic-level insights into carbon dioxide electroreduction , 2017, Nature Communications.

[14]  W. Goddard,et al.  Full atomistic reaction mechanism with kinetics for CO reduction on Cu(100) from ab initio molecular dynamics free-energy calculations at 298 K , 2017, Proceedings of the National Academy of Sciences.

[15]  W. Goddard,et al.  Mechanism and kinetics of the electrocatalytic reaction responsible for the high cost of hydrogen fuel cells. , 2017, Physical chemistry chemical physics : PCCP.

[16]  William A. Goddard,et al.  The Reaction Mechanism with Free Energy Barriers at Constant Potentials for the Oxygen Evolution Reaction at the IrO(2) (110) Surface. , 2017, Journal of the American Chemical Society.

[17]  W. Goddard,et al.  Atomistic Mechanisms Underlying Selectivities in C(1) and C(2) Products from Electrochemical Reduction of CO on Cu(111). , 2017, Journal of the American Chemical Society.

[18]  J. Baltrusaitis,et al.  Surface chemistry of carbon dioxide revisited , 2016 .

[19]  W. Goddard,et al.  Reaction Mechanisms for the Electrochemical Reduction of CO2 to CO and Formate on the Cu(100) Surface at 298 K from Quantum Mechanics Free Energy Calculations with Explicit Water. , 2016, Journal of the American Chemical Society.

[20]  M. Salmeron,et al.  Recycling of CO2: Probing the Chemical State of the Ni(111) Surface during the Methanation Reaction with Ambient-Pressure X-Ray Photoelectron Spectroscopy. , 2016, Journal of the American Chemical Society.

[21]  Oleksandr Voznyy,et al.  Enhanced electrocatalytic CO2 reduction via field-induced reagent concentration , 2016, Nature.

[22]  G. M. Zhidomirov,et al.  Adsorption of O_{2} on Ag(111): Evidence of Local Oxide Formation. , 2016, Physical review letters.

[23]  E. Stach,et al.  Highly selective plasma-activated copper catalysts for carbon dioxide reduction to ethylene , 2016, Nature Communications.

[24]  P. Strasser,et al.  Nanostructured electrocatalysts with tunable activity and selectivity , 2016 .

[25]  Jinlong Yang,et al.  Partially oxidized atomic cobalt layers for carbon dioxide electroreduction to liquid fuel , 2016, Nature.

[26]  Ravishankar Sundararaman,et al.  Mechanistic Explanation of the pH Dependence and Onset Potentials for Hydrocarbon Products from Electrochemical Reduction of CO on Cu (111). , 2016, Journal of the American Chemical Society.

[27]  W. Goddard,et al.  Free-Energy Barriers and Reaction Mechanisms for the Electrochemical Reduction of CO on the Cu(100) Surface, Including Multiple Layers of Explicit Solvent at pH 0. , 2015, The journal of physical chemistry letters.

[28]  D. Vlachos,et al.  Mechanistic Insights into the Electrochemical Reduction of CO2 to CO on Nanostructured Ag Surfaces , 2015 .

[29]  Etosha R. Cave,et al.  Insights into the electrocatalytic reduction of CO₂ on metallic silver surfaces. , 2014, Physical chemistry chemical physics : PCCP.

[30]  Jiujun Zhang,et al.  A review of catalysts for the electroreduction of carbon dioxide to produce low-carbon fuels. , 2014, Chemical Society reviews.

[31]  Michel Dupuis,et al.  Frontiers, opportunities, and challenges in biochemical and chemical catalysis of CO2 fixation. , 2013, Chemical reviews.

[32]  Jinghua Guo,et al.  Electronic structure and chemical bonding of a graphene oxide-sulfur nanocomposite for use in superior performance lithium-sulfur cells. , 2012, Physical chemistry chemical physics : PCCP.

[33]  A. Majumdar,et al.  Opportunities and challenges for a sustainable energy future , 2012, Nature.

[34]  Junfa Zhu,et al.  Growth, Structure, and Stability of Ag on CeO2(111): Synchrotron Radiation Photoemission Studies , 2011 .

[35]  Aron Walsh,et al.  A first-principles investigation , 2011 .

[36]  Z. Hussain,et al.  New ambient pressure photoemission endstation at Advanced Light Source beamline 9.3.2. , 2010, The Review of scientific instruments.

[37]  S. Grimme,et al.  A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu. , 2010, The Journal of chemical physics.

[38]  G. Henkelman,et al.  A grid-based Bader analysis algorithm without lattice bias , 2009, Journal of physics. Condensed matter : an Institute of Physics journal.

[39]  M. Salmeron,et al.  Surface chemistry of Cu in the presence of CO2 and H2O. , 2008, Langmuir : the ACS journal of surfaces and colloids.

[40]  Edward Sanville,et al.  Improved grid‐based algorithm for Bader charge allocation , 2007, J. Comput. Chem..

[41]  G. Henkelman,et al.  A fast and robust algorithm for Bader decomposition of charge density , 2006 .

[42]  A. Becke,et al.  A post-Hartree-Fock model of intermolecular interactions: inclusion of higher-order corrections. , 2006, The Journal of chemical physics.

[43]  B. Delley,et al.  Oxygen adsorption and stability of surface oxides on Cu(111) : A first-principles investigation , 2006 .

[44]  M Schmid,et al.  Structure of Ag(111)-p(4 x 4)-O: no silver oxide. , 2006, Physical review letters.

[45]  A Michaelides,et al.  Revisiting the structure of the p(4 x 4) surface oxide on Ag(111). , 2006, Physical review letters.

[46]  M. Scheffler,et al.  Subsurface oxygen and surface oxide formation at Ag(111): A density-functional theory investigation , 2003, cond-mat/0302122.

[47]  Matthias Scheffler,et al.  Oxygen adsorption on Ag(111): A density-functional theory investigation , 2002 .

[48]  Makiko Kato,et al.  Electrochemical reduction of CO2 on single crystal electrodes of silver Ag(111), Ag(100) and Ag(110) , 1997 .

[49]  Burke,et al.  Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.

[50]  Kresse,et al.  Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. , 1996, Physical review. B, Condensed matter.

[51]  Akihiko Kudo,et al.  Electrochemical reduction of carbon dioxide under high pressure on various electrodes in an aqueous electrolyte , 1995 .

[52]  R. Schlögl,et al.  Variation of the morphology of silver surfaces by thermal and catalytic etching , 1992 .

[53]  C Gough,et al.  Introduction to Solid State Physics (6th edn) , 1986 .

[54]  J. Augustynski,et al.  Electrochemical reduction of bicarbonate ions at a bright palladium cathode , 1985 .

[55]  Charles M. Lieber,et al.  Catalytic reduction of carbon dioxide at carbon electrodes modified with cobalt phthalocyanine , 1984 .

[56]  M. Barteau,et al.  Photoelectron spectra of adsorbed carbonates , 1983 .

[57]  W. H. Weinberg,et al.  An XPS and UPS study of the kinetics of carbon monoxide oxidation over Ag(111) , 1982 .

[58]  M. Bowker,et al.  Oxygen induced adsorption and reaction of H2, H2O, CO and CO2 on single crystal Ag(110) , 1980 .

[59]  C. Kittel Introduction to solid state physics , 1954 .