Cu metal embedded in oxidized matrix catalyst to promote CO 2 activation and CO dimerization for electrochemical reduction of CO 2

Recent Advances in Inorganic Heterogeneous Electrocatalysts for Reduction of Carbon Dioxide

(2016) Dong Dong Zhu et al.   ADVANCED MATERIALS

Tailoring Copper Nanocrystals towards C2 Products in Electrochemical CO2 Reduction

(2016) Anna Loiudice et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Controllable Hydrocarbon Formation from the Electrochemical Reduction of CO2 over Cu Nanowire Arrays

(2016) Ming Ma et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Calculations of oxide formation on low-index Cu surfaces

(2016) Xin Lian et al.   JOURNAL OF CHEMICAL PHYSICS

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

Atomistic Mechanisms Underlying Selectivities in C1 and C2 Products from Electrochemical Reduction of CO on Cu(111)

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

Partially oxidized atomic cobalt layers for carbon dioxide electroreduction to liquid fuel

(2016) Shan Gao et al.   NATURE

Highly selective plasma-activated copper catalysts for carbon dioxide reduction to ethylene

(2016) Hemma Mistry et al.   Nature Communications

Morphology Matters: Tuning the Product Distribution of CO2 Electroreduction on Oxide-Derived Cu Foam Catalysts

(2016) Abhijit Dutta et al.   ACS Catalysis

Regulating the Product Distribution of CO Reduction by the Atomic-Level Structural Modification of the Cu Electrode Surface

(2016) Youn-Geun Kim et al.   Electrocatalysis

High Selectivity for Ethylene from Carbon Dioxide Reduction over Copper Nanocube Electrocatalysts

(2015) F. Sloan Roberts et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The charge-asymmetric nonlocally determined local-electric (CANDLE) solvation model

(2015) Ravishankar Sundararaman et al.   JOURNAL OF CHEMICAL PHYSICS

Theoretical Insights into a CO Dimerization Mechanism in CO2 Electroreduction

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

Surface phases of Cu2O(111) under CO2 electrochemical reduction conditions

(2014) Xiaowa Nie et al.   CATALYSIS COMMUNICATIONS

Electrocatalytic Conversion of Carbon Dioxide to Methane and Methanol on Transition Metal Surfaces

(2014) Kendra P. Kuhl et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electroreduction of carbon monoxide to liquid fuel on oxide-derived nanocrystalline copper

(2014) Christina W. Li et al.   NATURE

Electrochemical CO2 reduction on Cu2O-derived copper nanoparticles: controlling the catalytic selectivity of hydrocarbons

(2014) Recep Kas et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

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

Pseudopotentials for high-throughput DFT calculations

(2013) Kevin F. Garrity et al.   COMPUTATIONAL MATERIALS SCIENCE

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

Vibrational Analysis of an Ice Ih Model from 0 to 4000 cm–1 Using the Ab Initio WHBB Potential Energy Surface

(2013) Hanchao Liu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

First-Principles Predictions of the Structure, Stability, and Photocatalytic Potential of Cu2O Surfaces

(2013) Leah Isseroff Bendavid et al.   JOURNAL OF PHYSICAL CHEMISTRY B

CO2 Adsorption on Cu2O(111): A DFT+U and DFT-D Study

(2013) Leah Isseroff Bendavid et al.   Journal of Physical Chemistry C

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

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

CO2 Reduction at Low Overpotential on Cu Electrodes Resulting from the Reduction of Thick Cu2O Films

(2012) Christina W. Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

Joint density functional theory of the electrode-electrolyte interface: Application to fixed electrode potentials, interfacial capacitances, and potentials of zero charge

(2012) Kendra Letchworth-Weaver et al.   PHYSICAL REVIEW B

Direct minimization technique for metals in density functional theory

(2009) Christoph Freysoldt et al.   PHYSICAL REVIEW B

Atomic structure of Cu2O(111)

(2008) Anneli Önsten et al.   SURFACE SCIENCE