Molybdenum Sulfides and Selenides as Possible Electrocatalysts for CO2Reduction

Tuning the MoS2 Edge-Site Activity for Hydrogen Evolution via Support Interactions

(2014) Charlie Tsai et al.   NANO LETTERS

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

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

Theoretical Considerations on the Electroreduction of CO to C2Species on Cu(100) Electrodes

(2013) Federico Calle-Vallejo et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

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

Insights into CC Coupling in CO2Electroreduction on Copper Electrodes

(2013) Joseph H. Montoya et al.   ChemCatChem

Synthesis of MoS2 and MoSe2 Films with Vertically Aligned Layers

(2013) Desheng Kong et al.   NANO LETTERS

pH in atomic scale simulations of electrochemical interfaces

(2013) Jan Rossmeisl et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ni–Fe–S Cubanes in CO2 Reduction Electrocatalysis: A DFT Study

(2013) J. B. Varley et al.   ACS Catalysis

First-Principles Calculations of Fischer-Tropsch Processes Catalyzed by Nitrogenase Enzymes

(2012) Joel B. Varley et al.   ChemCatChem

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

Theoretical Insights into Pyridinium-Based Photoelectrocatalytic Reduction of CO2

(2012) John A. Keith et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

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

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

Electronics and optoelectronics of two-dimensional transition metal dichalcogenides

(2012) Qing Hua Wang et al.   Nature Nanotechnology

Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation

(2012) Jess Wellendorff et al.   PHYSICAL REVIEW B

Carbon dioxide reduction to methane and coupling with acetylene to form propylene catalyzed by remodeled nitrogenase

(2012) Z.-Y. Yang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

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

(2011) B. A. Rosen et al.   SCIENCE

Extending the Carbon Chain: Hydrocarbon Formation Catalyzed by Vanadium/Molybdenum Nitrogenases

(2011) Y. Hu et al.   SCIENCE

How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels

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

Comparative atomic-scale analysis of promotional effects by late 3d-transition metals in MoS2 hydrotreating catalysts

(2010) Jakob Kibsgaard et al.   JOURNAL OF CATALYSIS

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

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

The single-layered morphology of supported MoS2-based catalysts—The role of the cobalt promoter and its effects in the hydrodesulfurization of dibenzothiophene

(2008) Gilles Berhault et al.   APPLIED CATALYSIS A-GENERAL

Recent STM, DFT and HAADF-STEM studies of sulfide-based hydrotreating catalysts: Insight into mechanistic, structural and particle size effects

(2007) F. Besenbacher et al.   CATALYSIS TODAY