相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Computational Methods in Heterogeneous Catalysis
Benjamin W. J. Chen et al.
CHEMICAL REVIEWS (2021)
Developing micro-kinetic model for electrocatalytic reduction of carbon dioxide on copper electrode
Shi-Qin Xiang et al.
JOURNAL OF CATALYSIS (2021)
CO2 electrolysis to multicarbon products at activities greater than 1 A cm-2
F. Pelayo Garcia de Arquer et al.
SCIENCE (2020)
Electrochemical CO2 Reduction Reaction on M@Cu(211) Bimetallic Single-Atom Surface Alloys: Mechanism, Kinetics, and Catalyst Screening
Yonghao Feng et al.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING (2020)
Enhancing CO2 Electroreduction to Ethanol on Copper-Silver Composites by Opening an Alternative Catalytic Pathway
Louisa Rui Lin Ting et al.
ACS CATALYSIS (2020)
Affordable Estimation of Solvation Contributions to the Adsorption Energies of Oxygenates on Metal Nanoparticles
Federico Calle-Vallejo et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2019)
Progress and Perspectives of Electrochemical CO2 Reduction on Copper in Aqueous Electrolyte
Stephanie Nitopi et al.
CHEMICAL REVIEWS (2019)
Structural Sensitivities in Bimetallic Catalysts for Electrochemical CO2 Reduction Revealed by Ag-Cu Nanodimers
Jianfeng Huang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)
Three-Dimensional Quantification of the Facet Evolution of Pt Nanoparticles in a Variable Gaseous Environment
Thomas Altantzis et al.
NANO LETTERS (2019)
pH effects on the electrochemical reduction of CO(2) towards C2 products on stepped copper
Xinyan Liu et al.
NATURE COMMUNICATIONS (2019)
Evidence for product-specific active sites on oxide-derived Cu catalysts for electrochemical CO2 reduction
Yanwei Lum et al.
NATURE CATALYSIS (2019)
CO2 reduction to acetate in mixtures of ultrasmall (Cu)(n),(Ag)(m) bimetallic nanoparticles
Ying Wang et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2018)
Understanding the Heterogeneous Electrocatalytic Reduction of Carbon Dioxide on Oxide-Derived Catalysts
James E. Pander et al.
CHEMELECTROCHEM (2018)
CO2 electroreduction to ethylene via hydroxide-mediated copper catalysis at an abrupt interface
Cao-Thang Dinh et al.
SCIENCE (2018)
First-Principles Based Microkinetic Modeling of CO2 Reduction at the Ni/SDC Cathode of a Solid Oxide Electrolysis Cell
Bohua Ren et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2018)
Identification of the Selective Sites for Electrochemical Reduction of CO to C2+ Products on Copper Nanoparticles by Combining Reactive Force Fields, Density Functional Theory, and Machine Learning
Yufeng Huang et al.
ACS ENERGY LETTERS (2018)
What Should We Make with CO2 and How Can We Make It?
Oleksandr S. Bushuyev et al.
JOULE (2018)
Powering the Future with Liquid Sunshine
Choon Fong Shih et al.
JOULE (2018)
Atomistic Mechanisms Underlying Selectivities in C1 and C2 Products from Electrochemical Reduction of CO on Cu(111)
Hai Xiao et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)
Generalized Temporal Acceleration Scheme for Kinetic Monte Carlo Simulations of Surface Catalytic Processes by Scaling the Rates of Fast Reactions
Eric C. Dybeck et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)
Optimizing C-C Coupling on Oxide-Derived Copper Catalysts for Electrochemical CO2 Reduction
Yanwei Lum et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2017)
Mechanistic insights into electrochemical reduction of CO2 over Ag using density functional theory and transport models
Meenesh R. Singh et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2017)
Understanding trends in electrochemical carbon dioxide reduction rates
Xinyan Liu et al.
NATURE COMMUNICATIONS (2017)
Atomistic Insights into Nitrogen-Cycle Electrochemistry: A Combined DFT and Kinetic Monte Carlo Analysis of NO Electrochemical Reduction on Pt(100)
Hee-Joon Chun et al.
ACS CATALYSIS (2017)
Identification of Possible Pathways for C-C Bond Formation during Electrochemical Reduction of CO2: New Theoretical Insights from an Improved Electrochemical Model
Jason D. Goodpaster et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2016)
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
Tao Cheng et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
Highly selective plasma-activated copper catalysts for carbon dioxide reduction to ethylene
Hemma Mistry et al.
NATURE COMMUNICATIONS (2016)
Curvature-Dependent Selectivity of CO2 Electrocatalytic Reduction on Cobalt Porphyrin Nanotubes
Guizhi Zhu et al.
ACS CATALYSIS (2016)
Electric Field Effects in Electrochemical CO2 Reduction
Leanne D. Chen et al.
ACS CATALYSIS (2016)
Tracking a Common Surface-Bound Intermediate during CO2-to-Fuels Catalysis
Anna Wuttig et al.
ACS CENTRAL SCIENCE (2016)
CO2 Electroreduction Performance of Transition Metal Dimers Supported on Graphene: A Theoretical Study
Yawei Li et al.
ACS Catalysis (2015)
Electroreduction of carbon monoxide to liquid fuel on oxide-derived nanocrystalline copper
Christina W. Li et al.
NATURE (2014)
Parallel kinetic Monte Carlo simulation framework incorporating accurate models of adsorbate lateral interactions
Jens Nielsen et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
CO2 Reduction at Low Overpotential on Cu Electrodes Resulting from the Reduction of Thick Cu2O Films
Christina W. Li et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)
Unraveling the Complexity of Catalytic Reactions via Kinetic Monte Carlo Simulation: Current Status and Frontiers
Michail Stamatakis et al.
ACS CATALYSIS (2012)
A graph-theoretical kinetic Monte Carlo framework for on-lattice chemical kinetics
Michail Stamatakis et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels
Andrew A. Peterson et al.
ENERGY & ENVIRONMENTAL SCIENCE (2010)
CO surface diffusion on platinum fuel cell catalysts by electrochemical NMR
P. K. Babu et al.
ELECTROCHIMICA ACTA (2008)
A simple rule of thumb for diffusion on transition-metal surfaces
Anand Udaykumar Nilekar et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2006)
Use of a dynamic Monte Carlo simulation in the study of nucleation-and-growth models for CO electrochemical oxidation
C Korzeniewski et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2001)
分享论文
