Efficient upgrading of CO to C3 fuel using asymmetric C-C coupling active sites

[1]  Yi-sheng Liu,et al.  Copper adparticle enabled selective electrosynthesis of n-propanol , 2018, Nature Communications.

[2]  Andrew H. Proppe,et al.  Copper nanocavities confine intermediates for efficient electrosynthesis of C3 alcohol fuels from carbon monoxide , 2018, Nature Catalysis.

[3]  Christine M. Gabardo,et al.  Combined high alkalinity and pressurization enable efficient CO2 electroreduction to CO , 2018 .

[4]  Feng Jiao,et al.  High-rate electroreduction of carbon monoxide to multi-carbon products , 2018, Nature Catalysis.

[5]  W. Goddard,et al.  Electrochemical CO Reduction Builds Solvent Water into Oxygenate Products. , 2018, Journal of the American Chemical Society.

[6]  J. Hofkens,et al.  Dopant-induced electron localization drives CO2 reduction to C2 hydrocarbons , 2018, Nature Chemistry.

[7]  N. Zheng,et al.  Electrochemical Reduction of Carbon Dioxide to Methanol on Hierarchical Pd/SnO2 Nanosheets with Abundant Pd-O-Sn Interfaces. , 2018, Angewandte Chemie.

[8]  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.

[9]  Christine M. Gabardo,et al.  CO2 electroreduction to ethylene via hydroxide-mediated copper catalysis at an abrupt interface , 2018, Science.

[10]  H. Jónsson,et al.  Calculations of Product Selectivity in Electrochemical CO2 Reduction , 2018 .

[11]  A. Frenkel,et al.  Nanoporous Copper-Silver Alloys by Additive-Controlled Electrodeposition for the Selective Electroreduction of CO2 to Ethylene and Ethanol. , 2018, Journal of the American Chemical Society.

[12]  Christine M. Gabardo,et al.  Hydronium-Induced Switching between CO2 Electroreduction Pathways. , 2018, Journal of the American Chemical Society.

[13]  Feng Jiao,et al.  General Techno-Economic Analysis of CO2 Electrolysis Systems , 2018 .

[14]  Haotian Wang,et al.  Metal ion cycling of Cu foil for selective C–C coupling in electrochemical CO2 reduction , 2018, Nature Catalysis.

[15]  Abhijit Dutta,et al.  Electrochemical Reduction of CO2 into Multicarbon Alcohols on Activated Cu Mesh Catalysts: An Identical Location (IL) Study , 2017 .

[16]  T. Jaramillo,et al.  Electrochemical CO2 Reduction over Compressively Strained CuAg Surface Alloys with Enhanced Multi-Carbon Oxygenate Selectivity. , 2017, Journal of the American Chemical Society.

[17]  P. Yang,et al.  Copper nanoparticle ensembles for selective electroreduction of CO2 to C2–C3 products , 2017, Proceedings of the National Academy of Sciences.

[18]  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.

[19]  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.

[20]  K. Livi,et al.  Low-Overpotential Electroreduction of Carbon Monoxide Using Copper Nanowires , 2017 .

[21]  Abdullah M. Asiri,et al.  Design and Application of Foams for Electrocatalysis , 2017 .

[22]  Paul J A Kenis,et al.  A Nitrogen-Doped Carbon Catalyst for Electrochemical CO2 Conversion to CO with High Selectivity and Current Density. , 2017, ChemSusChem.

[23]  F. Calle‐Vallejo,et al.  Spectroscopic Observation of a Hydrogenated CO Dimer Intermediate During CO Reduction on Cu(100) Electrodes. , 2017, Angewandte Chemie.

[24]  Jingli Luo,et al.  Shape-Dependent Electrocatalytic Reduction of CO2 to CO on Triangular Silver Nanoplates. , 2017, Journal of the American Chemical Society.

[25]  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.

[26]  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.

[27]  B. Yeo,et al.  Tuning the Selectivity of Carbon Dioxide Electroreduction toward Ethanol on Oxide-Derived CuxZn Catalysts , 2016 .

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

[29]  Yun Huang,et al.  Mechanistic Insights into the Selective Electroreduction of Carbon Dioxide to Ethylene on Cu2O-Derived Copper Catalysts , 2016 .

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

[31]  J. Ager,et al.  Tailoring Copper Nanocrystals towards C2 Products in Electrochemical CO2 Reduction. , 2016, Angewandte Chemie.

[32]  M. Head‐Gordon,et al.  Identification of Possible Pathways for C-C Bond Formation during Electrochemical Reduction of CO2: New Theoretical Insights from an Improved Electrochemical Model. , 2016, The journal of physical chemistry letters.

[33]  K. Jiang,et al.  A Direct Grain-Boundary-Activity Correlation for CO Electroreduction on Cu Nanoparticles , 2016, ACS central science.

[34]  Yun Huang,et al.  Mechanistic Insights into the Enhanced Activity and Stability of Agglomerated Cu Nanocrystals for the Electrochemical Reduction of Carbon Dioxide to n-Propanol. , 2016, The journal of physical chemistry letters.

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

[36]  Wolfgang Ziegler,et al.  Modern Aspects Of Electrochemistry , 2016 .

[37]  D. Rooney,et al.  Elucidating the mechanism and active site of the cyclohexanol dehydrogenation on copper-based catalysts: A density functional theory study , 2015 .

[38]  Jing Shen,et al.  Catalysts and Reaction Pathways for the Electrochemical Reduction of Carbon Dioxide. , 2015, The journal of physical chemistry letters.

[39]  Hongtao Yu,et al.  Efficient Electrochemical Reduction of Carbon Dioxide to Acetate on Nitrogen-Doped Nanodiamond. , 2015, Journal of the American Chemical Society.

[40]  Matthew W. Kanan,et al.  Probing the Active Surface Sites for CO Reduction on Oxide-Derived Copper Electrocatalysts. , 2015, Journal of the American Chemical Society.

[41]  Joseph H. Montoya,et al.  Theoretical Insights into a CO Dimerization Mechanism in CO2 Electroreduction. , 2015, The journal of physical chemistry letters.

[42]  Matthew W. Kanan,et al.  Electroreduction of carbon monoxide to liquid fuel on oxide-derived nanocrystalline copper , 2014, Nature.

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

[44]  Thomas Bligaard,et al.  Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation , 2012 .

[45]  Thomas F. Jaramillo,et al.  New insights into the electrochemical reduction of carbon dioxide on metallic copper surfaces , 2012 .

[46]  Jan Ilavsky,et al.  Nika : software for two-dimensional data reduction , 2012 .

[47]  Richard L. Kurtz,et al.  Electrochemical Reduction of CO2 to CH3OH at Copper Oxide Surfaces , 2011 .

[48]  S. Shaik,et al.  How to conceptualize catalytic cycles? The energetic span model. , 2011, Accounts of chemical research.

[49]  Claire M. Cobley,et al.  Engineering the Properties of Metal Nanostructures via Galvanic Replacement Reactions. , 2010, Materials science & engineering. R, Reports : a review journal.

[50]  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.

[51]  A S Bondarenko,et al.  Alloys of platinum and early transition metals as oxygen reduction electrocatalysts. , 2009, Nature chemistry.

[52]  Thomas Bligaard,et al.  Identification of Non-Precious Metal Alloy Catalysts for Selective Hydrogenation of Acetylene , 2008, Science.

[53]  G. Scuseria,et al.  Restoring the density-gradient expansion for exchange in solids and surfaces. , 2007, Physical review letters.

[54]  M Newville,et al.  ATHENA, ARTEMIS, HEPHAESTUS: data analysis for X-ray absorption spectroscopy using IFEFFIT. , 2005, Journal of synchrotron radiation.

[55]  H. Jónsson,et al.  Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode , 2004 .

[56]  A. Alavi,et al.  Identification of general linear relationships between activation energies and enthalpy changes for dissociation reactions at surfaces. , 2003, Journal of the American Chemical Society.

[57]  Zhipan Liu,et al.  General rules for predicting where a catalytic reaction should occur on metal surfaces: a density functional theory study of C-H and C-O bond breaking/making on flat, stepped, and kinked metal surfaces. , 2003, Journal of the American Chemical Society.

[58]  J. Nørskov,et al.  Ligand and ensemble effects in adsorption on alloy surfaces , 2001 .

[59]  G. Kresse,et al.  From ultrasoft pseudopotentials to the projector augmented-wave method , 1999 .

[60]  Ali Alavi,et al.  CO oxidation on Pt(111): An ab initio density functional theory study , 1998 .

[61]  Akira Murata,et al.  Electrochemical Reduction of CO at a Copper Electrode , 1997 .

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

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

[64]  G. Kresse,et al.  Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set , 1996 .

[65]  Blöchl,et al.  Projector augmented-wave method. , 1994, Physical review. B, Condensed matter.

[66]  Hafner,et al.  Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium. , 1994, Physical review. B, Condensed matter.

[67]  Hafner,et al.  Ab initio molecular dynamics for liquid metals. , 1995, Physical review. B, Condensed matter.

[68]  Wang,et al.  Accurate and simple analytic representation of the electron-gas correlation energy. , 1992, Physical review. B, Condensed matter.

[69]  W. M. Haynes.  CRC Handbook of Chemistry and Physics , 1990 .

[70]  Brian E. Conway,et al.  Modern Aspects of Electrochemistry , 1974 .