Electrocatalytic Reduction of CO2 to CO over Ag(110) and Cu(211) Modeled by Grand-Canonical Density Functional Theory

Mechanistic understanding of CO2 Reduction Reaction Towards C1 products by molecular transition metal porphyrin catalysts

(2021) Ling Guo et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

High-performance NiOOH/FeOOH electrode for OER catalysis

(2021) Patrick Gono et al.   JOURNAL OF CHEMICAL PHYSICS

Importance of Au nanostructures in CO2 electrochemical reduction reaction

(2020) Dong-Rui Yang et al.   Science Bulletin

The electrochemical interface in first-principles calculations

(2020) Kathleen Schwarz et al.   SURFACE SCIENCE REPORTS

Reaction mechanism and kinetics for CO2 reduction on nickel single atom catalysts from quantum mechanics

(2020) Md Delowar Hossain et al.   Nature Communications

Selectivity roadmap for electrochemical CO2 reduction on copper-based alloy catalysts

(2020) Xing Zhi et al.   Nano Energy

A scalable method for preparing Cu electrocatalysts that convert CO2 into C2+ products

(2020) Taehee Kim et al.   Nature Communications

CO 2 Conversion on Ligand‐Protected Au 25 Nanoparticle: The Role of Structural Inhomogeneity in the Promotion of the Electrocatalytic Process

(2020) Dominic R. Alfonso   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

A few basic concepts in electrochemical carbon dioxide reduction

(2020) Karen Chan   Nature Communications

Oxygen evolution reaction over catalytic single-site Co in a well-defined brookite TiO2 nanorod surface

(2020) Chang Liu et al.   Nature Catalysis

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

(2019) Stephanie Nitopi et al.   CHEMICAL REVIEWS

Multifunctional electrocatalyst PtM with low Pt loading and high activity towards hydrogen and oxygen electrode reactions: A computational study

(2019) Xingshuai Lv et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Mechanism of CO2 Reduction at Copper Surfaces: Pathways to C2 Products

(2018) Alejandro J. Garza et al.   ACS Catalysis

Recent Advances in CO2 Reduction Electrocatalysis on Copper

(2018) David Raciti et al.   ACS Energy Letters

First-Principles Modeling in Heterogeneous Electrocatalysis

(2018) Dominic Alfonso et al.   Catalysts

Reaction Mechanism for the Hydrogen Evolution Reaction on the Basal Plane Sulfur Vacancy Site of MoS2 Using Grand Canonical Potential Kinetics

(2018) Yufeng Huang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Evaluating continuum solvation models for the electrode-electrolyte interface: Challenges and strategies for improvement

(2017) Ravishankar Sundararaman et al.   JOURNAL OF CHEMICAL PHYSICS

Building Blocks for High Performance in Electrocatalytic CO2 Reduction: Materials, Optimization Strategies, and Device Engineering

(2017) Gastón O. Larrazábal et al.   Journal of Physical Chemistry Letters

Understanding trends in electrochemical carbon dioxide reduction rates

(2017) Xinyan Liu et al.   Nature Communications

Syngas production by electrochemical CO 2 reduction in an ionic liquid based-electrolyte

(2017) Tiago Pardal et al.   Journal of CO2 Utilization

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

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

Hydrogen and halide co-adsorption on Pt(111) in an electrochemical environment: a computational perspective

(2016) Florian Gossenberger et al.   ELECTROCHIMICA ACTA

High-Density Nanosharp Microstructures Enable Efficient CO2 Electroreduction

(2016) Tina Saberi Safaei et al.   NANO LETTERS

Selective conversion of syngas to light olefins

(2016) F. Jiao et al.   SCIENCE

The Importance of the Electrochemical Environment in the Electro-Oxidation of Methanol on Pt(111)

(2016) Sung Sakong et al.   ACS Catalysis

Probing the Reaction Mechanism of CO2 Electroreduction over Ag Films via Operando Infrared Spectroscopy

(2016) Nienke J. Firet et al.   ACS Catalysis

Surface energies of elemental crystals

(2016) Richard Tran et al.   Scientific Data

Concave Rhombic Dodecahedral Au Nanocatalyst with Multiple High-Index Facets for CO2 Reduction

(2015) Hye-Eun Lee et al.   ACS Nano

Towards sustainable fuels and chemicals through the electrochemical reduction of CO2: lessons from water electrolysis

(2015) Antonio J. Martín et al.   GREEN CHEMISTRY

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

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

Catalysts and Reaction Pathways for the Electrochemical Reduction of Carbon Dioxide

(2015) Ruud Kortlever et al.   Journal of Physical Chemistry Letters

Achieving Selective and Efficient Electrocatalytic Activity for CO2 Reduction Using Immobilized Silver Nanoparticles

(2015) Cheonghee Kim et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanistic Insights into the Electrochemical Reduction of CO2 to CO on Nanostructured Ag Surfaces

(2015) Jonathan Rosen et al.   ACS Catalysis

Insights into the electrocatalytic reduction of CO2on metallic silver surfaces

(2014) Toru Hatsukade et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

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

Manipulating the Hydrocarbon Selectivity of Copper Nanoparticles in CO2Electroreduction by Process Conditions

(2014) Recep Kas et al.   ChemElectroChem

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

Renewable and metal-free carbon nanofibre catalysts for carbon dioxide reduction

(2013) Bijandra Kumar et al.   Nature Communications

Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis

(2012) Shyue Ping Ong et al.   COMPUTATIONAL MATERIALS SCIENCE

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

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

Activity Descriptors for CO2 Electroreduction to Methane on Transition-Metal Catalysts

(2012) Andrew A. Peterson et al.   Journal of Physical Chemistry Letters

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

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

Towards practical implementation

(2012) Søren Dahl et al.   NATURE MATERIALS

Ionic Liquid-Mediated Selective Conversion of CO2 to CO at Low Overpotentials

(2011) B. A. Rosen et al.   SCIENCE

Structure effects on the energetics of the electrochemical reduction of CO2 by copper surfaces

(2011) William J. Durand et al.   SURFACE SCIENCE

How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels

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