Double layer charging driven carbon dioxide adsorption limits the rate of electrochemical carbon dioxide reduction on Gold

Electrochemical CO Reduction: A property of the electrochemical interface

(2019) Alexander Bagger et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Surface Atomic Arrangement Dependence of Electrochemical CO2 Reduction on Gold: Online Electrochemical Mass Spectrometric Study on Low-Index Au(hkl) Surfaces

(2019) Naoto Todoroki et al.   ACS Catalysis

Influence of Atomic Surface Structure on the Activity of Ag for the Electrochemical Reduction of CO2 to CO

(2019) Ezra L. Clark et al.   ACS Catalysis

Interplay of Homogeneous Reactions, Mass Transport, and Kinetics in Determining Selectivity of the Reduction of CO2 on Gold Electrodes

(2019) Benjamin A. Zhang et al.   ACS Central Science

A Two-Dimensional MoS2 Catalysis Transistor by Solid-State Ion Gating Manipulation and Adjustment (SIGMA)

(2019) Yecun Wu et al.   NANO LETTERS

Unified Approach to Implicit and Explicit Solvent Simulations of Electrochemical Reaction Energetics

(2019) Joseph A. Gauthier et al.   Journal of Chemical Theory and Computation

Facile Electron Transfer to CO2 during Adsorption at the Metal|Solution Interface

(2019) Joseph A. Gauthier et al.   Journal of Physical Chemistry C

Quantification of Interfacial pH Variation at Molecular Length Scales Using a Concurrent Non-Faradaic Reaction

(2018) Jaeyune Ryu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Examination of Near-Electrode Concentration Gradients and Kinetic Impacts on the Electrochemical Reduction of CO2 using Surface-Enhanced Infrared Spectroscopy

(2018) Marco Dunwell et al.   ACS Catalysis

Electrochemical Carbon Monoxide Reduction on Polycrystalline Copper: Effects of Potential, Pressure, and pH on Selectivity toward Multicarbon and Oxygenated Products

(2018) Lei Wang et al.   ACS Catalysis

Understanding Surface-Mediated Electrochemical Reactions: CO2 Reduction and Beyond

(2018) Marco Dunwell et al.   ACS Catalysis

pH Effects on the Selectivity of the Electrocatalytic CO2 Reduction on Graphene-Embedded Fe–N–C Motifs: Bridging Concepts between Molecular Homogeneous and Solid-State Heterogeneous Catalysis

(2018) Ana Sofia Varela et al.   ACS Energy Letters

Theoretical Approaches to Describing the Oxygen Reduction Reaction Activity of Single-Atom Catalysts

(2018) Anjli M. Patel et al.   Journal of Physical Chemistry C

An In Situ Surface-Enhanced Infrared Absorption Spectroscopy Study of Electrochemical CO2 Reduction: Selectivity Dependence on Surface C-Bound and O-Bound Reaction Intermediates

(2018) Yu Katayama et al.   Journal of Physical Chemistry C

pH effects on the electrochemical reduction of CO(2) towards C2 products on stepped copper

(2018) Xinyan Liu et al.   Nature Communications

Challenges in Modeling Electrochemical Reaction Energetics with Polarizable Continuum Models

(2018) Joseph A. Gauthier et al.   ACS Catalysis

Electrochemical Capacitance of CO-Terminated Pt(111) Dominated by the CO–Solvent Gap

(2017) Ravishankar Sundararaman et al.   Journal of Physical Chemistry Letters

Promoter Effects of Alkali Metal Cations on the Electrochemical Reduction of Carbon Dioxide

(2017) Joaquin Resasco et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Central Role of Bicarbonate in the Electrochemical Reduction of Carbon Dioxide on Gold

(2017) Marco Dunwell et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Competition between Hydrogen Evolution and Carbon Dioxide Reduction on Copper Electrodes in Mildly Acidic Media

(2017) Hideshi Ooka et al.   LANGMUIR

The path towards sustainable energy

(2017) Steven Chu et al.   NATURE MATERIALS

Electrochemical CO2 reduction on Au surfaces: mechanistic aspects regarding the formation of major and minor products

(2017) Etosha R. Cave et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Mechanistic insights into electrochemical reduction of CO2over Ag using density functional theory and transport models

(2017) Meenesh R. Singh et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Selective increase in CO2electroreduction activity at grain-boundary surface terminations

(2017) Ruperto G. Mariano et al.   SCIENCE

Tuning of CO2 Reduction Selectivity on Metal Electrocatalysts

(2017) Yuhang Wang et al.   Small

Controlling the selectivity of CO 2 electroreduction on copper: The effect of the electrolyte concentration and the importance of the local pH

(2016) Ana Sofia Varela et al.   CATALYSIS TODAY

Potential Dependence of Electrochemical Barriers from ab Initio Calculations

(2016) Karen Chan et al.   Journal of Physical Chemistry Letters

Enhanced electrocatalytic CO2 reduction via field-induced reagent concentration

(2016) Min Liu et al.   NATURE

Barriers of Electrochemical CO2 Reduction on Transition Metals

(2016) Chuan Shi et al.   ORGANIC PROCESS RESEARCH & DEVELOPMENT

Inhibited proton transfer enhances Au-catalyzed CO2-to-fuels selectivity

(2016) Anna Wuttig et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

CO-CO coupling on Cu facets: Coverage, strain and field effects

(2016) Robert B. Sandberg et al.   SURFACE SCIENCE

Electric Field Effects in Electrochemical CO2 Reduction

(2016) Leanne D. Chen et al.   ACS Catalysis

Design principles for hydrogen evolution reaction catalyst materials

(2016) Dusan Strmcnik et al.   Nano Energy

Trends in electrochemical CO2 reduction activity for open and close-packed metal surfaces

(2014) Chuan Shi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Simulations of Cyclic Voltammetry for Electric Double Layers in Asymmetric Electrolytes: A Generalized Modified Poisson–Nernst–Planck Model

(2013) Hainan Wang et al.   Journal of Physical Chemistry C

Understanding Trends in the Electrocatalytic Activity of Metals and Enzymes for CO2 Reduction to CO

(2013) Heine A. Hansen et al.   Journal of Physical Chemistry Letters

Global Optimization of Adsorbate–Surface Structures While Preserving Molecular Identity

(2013) Andrew A. Peterson   TOPICS IN CATALYSIS

Ab initio molecular dynamics study of the Helmholtz layer formed on solid–liquid interfaces and its capacitance

(2012) Yasunobu Ando et al.   CHEMICAL PHYSICS LETTERS

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

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

Revised self-consistent continuum solvation in electronic-structure calculations

(2012) Oliviero Andreussi et al.   JOURNAL OF CHEMICAL PHYSICS

Aqueous CO2 Reduction at Very Low Overpotential on Oxide-Derived Au Nanoparticles

(2012) Yihong Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The structure of the electrochemical double layer: Ag(111) in alkaline electrolyte

(2011) Christopher A. Lucas et al.   ELECTROCHEMISTRY COMMUNICATIONS

A Pore-Scale Model of Oxygen Reduction in Ionomer-Free Catalyst Layers of PEFCs

(2010) Karen Chan et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Imposed currents in galvanic cells

(2009) P.M. Biesheuvel et al.   ELECTROCHIMICA ACTA

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Degree of Rate Control: How Much the Energies of Intermediates and Transition States Control Rates

(2009) Carsten Stegelmann et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Proton-Coupled Electron Transfer in Solution, Proteins, and Electrochemistry†

(2008) Sharon Hammes-Schiffer et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Electronic structure calculations of liquid-solid interfaces: Combination of density functional theory and modified Poisson-Boltzmann theory

(2008) Ryosuke Jinnouchi et al.   PHYSICAL REVIEW B