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Gold-like activity copper-like selectivity of heteroatomic transition metal carbides for electrocatalytic carbon dioxide reduction reaction
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August 2021 |
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Facet Dependence of CO 2 Reduction Paths on Cu Electrodes
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December 2015 |
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Geometric Modulation of Local CO Flux in Ag@Cu2O Nanoreactors for Steering the CO2RR Pathway toward High‐Efficacy Methane Production
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July 2021 |
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Theoretical Study of EMIM + Adsorption on Silver Electrode Surfaces
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August 2015 |
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Electrocatalytic CO 2 Reduction to Alcohols with High Selectivity over a Two-Dimensional Fe 2 P 2 S 6 Nanosheet
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September 2019 |
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Automatic Prediction of Surface Phase Diagrams Using Ab Initio Grand Canonical Monte Carlo
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January 2019 |
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Boron Phosphide Nanoparticles: A Nonmetal Catalyst for High‐Selectivity Electrochemical Reduction of CO 2 to CH 3 OH
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July 2019 |
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Electric Field Effects in Electrochemical CO 2 Reduction
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September 2016 |
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Structure, Diffusion, and Stability of Lithium Salts in Aprotic Dimethyl Sulfoxide and Acetonitrile Electrolytes
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June 2022 |
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Mechanistic Study of the Li–Air Battery with a Co3O4 Cathode and Dimethyl Sulfoxide Electrolyte
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October 2021 |
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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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July 1996 |
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Mechanistic Insights into CO 2 Electroreduction on Ni 2 P: Understanding Its Selectivity toward Multicarbon Products
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September 2021 |
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Electrocatalytic reduction of CO2 to ethylene and ethanol through hydrogen-assisted C–C coupling over fluorine-modified copper
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April 2020 |
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Confinement of Ionic Liquids at Single-Ni-Sites Boost Electroreduction of CO 2 in Aqueous Electrolytes
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October 2020 |
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A climbing image nudged elastic band method for finding saddle points and minimum energy paths
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December 2000 |
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High-spatial-resolution mapping of catalytic reactions on single particles
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January 2017 |
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Efficient electrocatalytic conversion of CO2 to ethanol enabled by imidazolium-functionalized ionomer confined molybdenum phosphide
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November 2022 |
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Selectivity of CO 2 Reduction on Copper Electrodes: The Role of the Kinetics of Elementary Steps
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January 2013 |
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Switching the Reaction Course of Electrochemical CO 2 Reduction with Ionic Liquids
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May 2014 |
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Heterogeneous Single‐Atom Catalysts for Electrochemical CO 2 Reduction Reaction
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July 2020 |
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First-Principles Determination of CO Adsorption and Desorption on Pt(111) in the Free Energy Landscape
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August 2018 |
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Uncovering the Electrolyte-Dependent Transport Mechanism of LiO2 in Lithium-Oxygen Batteries
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November 2022 |
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Reaction Mechanisms for the Electrochemical Reduction of CO 2 to CO and Formate on the Cu(100) Surface at 298 K from Quantum Mechanics Free Energy Calculations with Explicit Water
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October 2016 |
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Suppressing H 2 Evolution and Promoting Selective CO 2 Electroreduction to CO at Low Overpotentials by Alloying Au with Pd
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March 2019 |
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A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
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April 2010 |
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Plasmonic photosynthesis of C1–C3 hydrocarbons from carbon dioxide assisted by an ionic liquid
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May 2019 |
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Surface Hydrides on Fe 2 P Electrocatalyst Reduce CO 2 at Low Overpotential: Steering Selectivity to Ethylene Glycol
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December 2021 |
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CO 2 Electroreduction in Ionic Liquids: A Review: CO 2 Electroreduction in Ionic Liquids: A Review
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August 2018 |
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Selective CO 2 reduction to C 3 and C 4 oxyhydrocarbons on nickel phosphides at overpotentials as low as 10 mV
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January 2018 |
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Activation of CO 2 by ionic liquid EMIM–BF 4 in the electrochemical system: a theoretical study
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January 2015 |
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Calibration of the DFT/GGA+U Method for Determination of Reduction Energies for Transition and Rare Earth Metal Oxides of Ti, V, Mo, and Ce
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June 2011 |
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Enhanced electrocatalytic CO2 reduction via field-induced reagent concentration
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August 2016 |
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Ionic Liquid-Mediated Selective Conversion of CO2 to CO at Low Overpotentials
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September 2011 |
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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
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November 2015 |
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Identifying Catalytic Active Sites of Trimolybdenum Phosphide (Mo 3 P) for Electrochemical Hydrogen Evolution
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May 2019 |
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Revealing the CO Coverage-Driven C–C Coupling Mechanism for Electrochemical CO 2 Reduction on Cu 2 O Nanocubes via Operando Raman Spectroscopy
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June 2021 |
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In Situ Thermal Atomization To Convert Supported Nickel Nanoparticles into Surface-Bound Nickel Single-Atom Catalysts
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October 2018 |
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Free energy of hydrophobic hydration: A molecular dynamics study of noble gases in water
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December 1986 |
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Cooperative insertion of CO2 in diamine-appended metal-organic frameworks
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March 2015 |
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Highly Efficient Solar-Driven Carbon Dioxide Reduction on Molybdenum Disulfide Catalyst Using Choline Chloride-Based Electrolyte
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January 2019 |
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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October 1996 |
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Robust carbon dioxide reduction on molybdenum disulphide edges
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July 2014 |
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Full atomistic reaction mechanism with kinetics for CO reduction on Cu(100) from ab initio molecular dynamics free-energy calculations at 298 K
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February 2017 |
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Climate and energy challenges for materials science
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January 2016 |
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What would it take for renewably powered electrosynthesis to displace petrochemical processes?
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April 2019 |
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Binding Site Diversity Promotes CO 2 Electroreduction to Ethanol
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May 2019 |
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New insights into the electrochemical reduction of carbon dioxide on metallic copper surfaces
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January 2012 |
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Copper nanocavities confine intermediates for efficient electrosynthesis of C3 alcohol fuels from carbon monoxide
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October 2018 |
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Binary copper-bismuth catalysts for the electrochemical reduction of CO2: Study on surface properties and catalytic activity
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October 2022 |
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Magnetic control of single transition metal doped MoS2 through H/F chemical decoration
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January 2017 |
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Coupling of Cu(100) and (110) Facets Promotes Carbon Dioxide Conversion to Hydrocarbons and Alcohols
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January 2021 |
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Tailored catalyst microenvironments for CO2 electroreduction to multicarbon products on copper using bilayer ionomer coatings
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journal
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October 2021 |
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Implanting Numerous Hydrogen‐Bonding Networks in a Cu‐Porphyrin‐Based Nanosheet to Boost CH 4 Selectivity in Neutral‐Media CO 2 Electroreduction
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August 2021 |
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Effect of the damping function in dispersion corrected density functional theory
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March 2011 |
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Theoretical Study of Methanol Synthesis from CO 2 Hydrogenation on Metal-Doped Cu(111) Surfaces
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December 2011 |
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Nanostructured transition metal dichalcogenide electrocatalysts for CO 2 reduction in ionic liquid
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July 2016 |
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Generalized Gradient Approximation Made Simple
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October 1996 |
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Oxygen Functionalized Copper Nanoparticles for Solar-Driven Conversion of Carbon Dioxide to Methane
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January 2020 |
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Scalable Production of Efficient Single-Atom Copper Decorated Carbon Membranes for CO 2 Electroreduction to Methanol
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July 2019 |
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Electrochemical CO2 Reduction: Tailoring Catalyst Layers in Gas Diffusion Electrodes
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August 2020 |
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Highly Selective Electrochemical Reduction of CO 2 to Alcohols on an FeP Nanoarray
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January 2020 |
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Advances and challenges in understanding the electrocatalytic conversion of carbon dioxide to fuels
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September 2019 |
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Electrochemical synthesis of propylene from carbon dioxide on copper nanocrystals
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April 2023 |
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Electrochemical deposition of N-heterocyclic carbene monolayers on metal surfaces
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November 2020 |
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Efficient Photoelectrochemical Reduction of Carbon Dioxide to Formic Acid: A Functionalized Ionic Liquid as an Absorbent and Electrolyte
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August 2017 |