Predictions of Chemical Shifts for Reactive Intermediates in CO2 Reduction under Operando Conditions

Synergy between a Silver–Copper Surface Alloy Composition and Carbon Dioxide Adsorption and Activation

(2020) Yifan Ye et al.   ACS Applied Materials & Interfaces

Addressing the sensitivity of signals from solid/liquid ambient pressure XPS (APXPS) measurement

(2020) Jin Qian et al.   JOURNAL OF CHEMICAL PHYSICS

Reaction intermediates during operando electrocatalysis identified from full solvent quantum mechanics molecular dynamics

(2019) Tao Cheng et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

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

(2019) Yifan Ye et al.   Nature Communications

Progress and Perspectives of Electrochemical CO2 Reduction on Copper in Aqueous Electrolyte

(2019) Stephanie Nitopi et al.   CHEMICAL REVIEWS

Mechanistic Understanding of CO2 Reduction Reaction (CO2RR) Toward Multicarbon Products by Heterogeneous Copper-Based Catalysts

(2019) Tanya K. Todorova et al.   ACS Catalysis

New aspects of operando Raman spectroscopy applied to electrochemical CO2 reduction on Cu foams

(2018) Shan Jiang et al.   JOURNAL OF CHEMICAL PHYSICS

Subsurface oxide plays a critical role in CO 2 activation by Cu(111) surfaces to form chemisorbed CO 2 , the first step in reduction of CO 2

(2017) Marco Favaro et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Full atomistic reaction mechanism with kinetics for CO reduction on Cu(100) from ab initio molecular dynamics free-energy calculations at 298 K

(2017) Tao Cheng et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The irreversible momentum of clean energy

(2017) Barack Obama   SCIENCE

Understanding Selectivity for the Electrochemical Reduction of Carbon Dioxide to Formic Acid and Carbon Monoxide on Metal Electrodes

(2017) Jeremy T. Feaster et al.   ACS Catalysis

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) Tao Cheng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanistic Explanation of the pH Dependence and Onset Potentials for Hydrocarbon Products from Electrochemical Reduction of CO on Cu (111)

(2016) Hai Xiao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Theoretical Insights into a CO Dimerization Mechanism in CO2 Electroreduction

(2015) Joseph H. Montoya et al.   Journal of Physical Chemistry Letters

Selectivity of CO2Reduction on Copper Electrodes: The Role of the Kinetics of Elementary Steps

(2013) Xiaowa Nie et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The influence of pH on the reduction of CO and CO2 to hydrocarbons on copper electrodes

(2013) Klaas Jan P. Schouten et al.   JOURNAL OF ELECTROANALYTICAL CHEMISTRY

New insights into the electrochemical reduction of carbon dioxide on metallic copper surfaces

(2012) Kendra P. Kuhl et al.   Energy & Environmental Science

Two Pathways for the Formation of Ethylene in CO Reduction on Single-Crystal Copper Electrodes

(2012) Klaas Jan P. Schouten et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels

(2010) Andrew A. Peterson et al.   Energy & Environmental Science

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Development and Validation of a ReaxFF Reactive Force Field for Cu Cation/Water Interactions and Copper Metal/Metal Oxide/Metal Hydroxide Condensed Phases

(2010) Adri C. T. van Duin et al.   JOURNAL OF PHYSICAL CHEMISTRY A