Advances and challenges in modeling solvated reaction mechanisms for renewable fuels and chemicals
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August 2019 |
A computational study on the electrified Pt(111) surface by the cluster model
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January 2019 |
Nano-designed semiconductors for electro- and photoelectro-catalytic conversion of carbon dioxide
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January 2018 |
On the origin of the elusive first intermediate of CO 2 electroreduction
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September 2018 |
Electrochemical CO 2 Reduction into Chemical Feedstocks: From Mechanistic Electrocatalysis Models to System Design
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December 2018 |
Formation of lattice-dislocated bismuth nanowires on copper foam for enhanced electrocatalytic CO 2 reduction at low overpotential
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January 2019 |
Advances and challenges in electrochemical CO 2 reduction processes: an engineering and design perspective looking beyond new catalyst materials
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January 2020 |
Copper and Copper-Based Bimetallic Catalysts for Carbon Dioxide Electroreduction
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October 2018 |
Evidence for product-specific active sites on oxide-derived Cu catalysts for electrochemical CO2 reduction
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December 2018 |
Formation of carbon–nitrogen bonds in carbon monoxide electrolysis
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August 2019 |
Cu metal embedded in oxidized matrix catalyst to promote CO 2 activation and CO dimerization for electrochemical reduction of CO 2
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June 2017 |
First-principles–based reaction kinetics from reactive molecular dynamics simulations: Application to hydrogen peroxide decomposition
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September 2018 |
Synergy between Fe and Ni in the optimal performance of (Ni,Fe)OOH catalysts for the oxygen evolution reaction
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May 2018 |
Amorphizing of Cu Nanoparticles toward Highly Efficient and Robust Electrocatalyst for CO 2 Reduction to Liquid Fuels with High Faradaic Efficiencies
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February 2018 |
How to Boost the Activity of the Monolayer Pt Supported on TiC Catalysts for Oxygen Reduction Reaction: A Density Functional Theory Study
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May 2019 |
Dramatic differences in carbon dioxide adsorption and initial steps of reduction between silver and copper
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April 2019 |
Synergetic promotion by oxygen doping and Ca decoration on graphene for CO 2 selective adsorption
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January 2019 |
The identification of optimal active boron sites for N 2 reduction
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January 2020 |
Effects of Anion Identity and Concentration on Electrochemical Reduction of CO 2
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February 2018 |
Mechanistic study on Cu-catalyzed CO 2 electroreduction into CH 4 at simulated low overpotentials based on an improved electrochemical model
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January 2019 |
Copper atom-pair catalyst anchored on alloy nanowires for selective and efficient electrochemical reduction of CO2
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January 2019 |
Recent Progress in the Theoretical Investigation of Electrocatalytic Reduction of CO 2
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April 2018 |
Towards operando computational modeling in heterogeneous catalysis
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January 2018 |
Edge‐Exposed Molybdenum Disulfide with N‐Doped Carbon Hybridization: A Hierarchical Hollow Electrocatalyst for Carbon Dioxide Reduction
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March 2019 |
Atomically Defined Undercoordinated Active Sites for Highly Efficient CO 2 Electroreduction
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November 2019 |
Efficient electrochemical transformation of CO 2 to C 2 /C 3 chemicals on benzimidazole-functionalized copper surfaces
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January 2018 |
CO2 Activation on Cobalt Surface in the Presence of H2O: An Ambient-Pressure X-ray Photoelectron Spectroscopy Study
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March 2018 |
First principles-based multiscale atomistic methods for input into first principles nonequilibrium transport across interfaces
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August 2018 |
Origin of the overpotentials for HCOO − and CO formation in the electroreduction of CO 2 on Cu(211): the reductive desorption processes decide
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January 2018 |
Liquefied Sunshine: Transforming Renewables into Fertilizers and Energy Carriers with Electromaterials
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November 2019 |
Tuning Gold Nanoparticles with Chelating Ligands for Highly Efficient Electrocatalytic CO 2 Reduction
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August 2018 |
Insights into the roles of water on the aqueous phase reforming of glycerol
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January 2019 |
Reaction intermediates during operando electrocatalysis identified from full solvent quantum mechanics molecular dynamics
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March 2019 |
Insight into the Formation and Transfer Process of the First Intermediate of CO 2 Reduction over Ag‐Decorated Dendritic Cu
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October 2019 |
Lateral Adsorbate Interactions Inhibit HCOO − while Promoting CO Selectivity for CO 2 Electrocatalysis on Silver
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December 2018 |
Rational Design of Sulfur-Doped Copper Catalysts for the Selective Electroreduction of Carbon Dioxide to Formate
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October 2017 |
Self-assembling of formic acid on the partially oxidized p (2 × 1) Cu(110) surface reconstruction at low coverages
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January 2019 |
Tuning Gold Nanoparticles with Chelating Ligands for Highly Efficient Electrocatalytic CO 2 Reduction
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August 2018 |
Lateral Adsorbate Interactions Inhibit HCOO − while Promoting CO Selectivity for CO 2 Electrocatalysis on Silver
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January 2019 |
Quantitatively Unraveling the Redox Shuttle of Spontaneous Oxidation/Electroreduction of CuO x on Silver Nanowires Using in Situ X-ray Absorption Spectroscopy
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December 2019 |
In-situ Spectroscopic Techniques as Critical Evaluation Tools for Electrochemical Carbon dioxide Reduction: A Mini Review
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March 2020 |