Theoretical Insight into the Trends that Guide the Electrochemical Reduction of Carbon Dioxide to Formic Acid

Electrochemical CO2 reduction to formic acid on a Pd-based formic acid oxidation catalyst

(2015) Ruud Kortlever et al.   CATALYSIS TODAY

The Mechanism of CO and CO2 Hydrogenation to Methanol over Cu-Based Catalysts

(2015) Felix Studt et al.   ChemCatChem

The Challenge of Electrochemical Ammonia Synthesis: A New Perspective on the Role of Nitrogen Scaling Relations

(2015) Joseph H. Montoya et al.   ChemSusChem

Electrochemical Barriers Made Simple

(2015) Karen Chan et al.   Journal of Physical Chemistry Letters

Pd-Catalyzed Electrohydrogenation of Carbon Dioxide to Formate: High Mass Activity at Low Overpotential and Identification of the Deactivation Pathway

(2015) Xiaoquan Min et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A DFT study of CO2 electrochemical reduction on Pb(211) and Sn(112)

(2015) Chaonan Cui et al.   Science China-Chemistry

A benchmark database for adsorption bond energies to transition metal surfaces and comparison to selected DFT functionals

(2015) Jess Wellendorff et al.   SURFACE SCIENCE

Electrochemical CO2 Reduction to Formic Acid at Low Overpotential and with High Faradaic Efficiency on Carbon-Supported Bimetallic Pd–Pt Nanoparticles

(2015) Ruud Kortlever et al.   ACS Catalysis

Identifying systematic DFT errors in catalytic reactions

(2015) Rune Christensen et al.   Catalysis Science & Technology

The road to sustainability

(2015) George Crabtree et al.   PHYSICS WORLD

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

Discovery of a Ni-Ga catalyst for carbon dioxide reduction to methanol

(2014) Felix Studt et al.   Nature Chemistry

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

Assessing the reliability of calculated catalytic ammonia synthesis rates

(2014) A. J. Medford et al.   SCIENCE

Theoretical Analysis of Transition-Metal Catalysts for Formic Acid Decomposition

(2014) Jong Suk Yoo et al.   ACS Catalysis

Controlling H+ vs CO2 Reduction Selectivity on Pb Electrodes

(2014) Chang Hoon Lee et al.   ACS Catalysis

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

Modeling CO2 reduction on Pt(111)

(2013) Chuan Shi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

CO and CO2 Hydrogenation to Methanol Calculated Using the BEEF-vdW Functional

(2012) Felix Studt et al.   CATALYSIS LETTERS

Formic acid as a hydrogen source – recent developments and future trends

(2012) Martin Grasemann et al.   Energy & Environmental 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

Tin Oxide Dependence of the CO2 Reduction Efficiency on Tin Electrodes and Enhanced Activity for Tin/Tin Oxide Thin-Film Catalysts

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

Efficient Subnanometric Gold-Catalyzed Hydrogen Generation via Formic Acid Decomposition under Ambient Conditions

(2012) Qing-Yuan Bi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Reversible hydrogen storage using CO2 and a proton-switchable iridium catalyst in aqueous media under mild temperatures and pressures

(2012) Jonathan F. Hull et al.   Nature Chemistry

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

(2012) Jess Wellendorff et al.   PHYSICAL REVIEW B

CO2-“Neutral” Hydrogen Storage Based on Bicarbonates and Formates

(2011) Albert Boddien et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Scaling relationships for adsorption energies of C2 hydrocarbons on transition metal surfaces

(2011) Glenn Jones et al.   CHEMICAL ENGINEERING SCIENCE

Production of CO-free H2 from formic acid. A comparative study of the catalytic behavior of Pt metals on a carbon support

(2011) F. Solymosi et al.   JOURNAL OF CATALYSIS

Acidic ideas for hydrogen storage

(2011) Albert Boddien et al.   Nature Nanotechnology

Universal transition state scaling relations for (de)hydrogenation over transition metals

(2011) S. Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A theoretical evaluation of possible transition metal electro-catalysts for N2reduction

(2011) Egill Skúlason et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

Formic Acid from Carbon Dioxide on Nanolayered Electrocatalyst

(2010) Youngkook Kwon et al.   Electrocatalysis

Chemical and Physical Solutions for Hydrogen Storage

(2009) Ulrich Eberle et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A Perspective on Forward Research and Development Paths for Cost-Effective Solar Energy Utilization

(2009) Nathan S. Lewis   ChemSusChem

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

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

Breakthroughs in Hydrogen Storage-Formic Acid as a Sustainable Storage Material for Hydrogen

(2008) Ferenc Joó   ChemSusChem

Recent advances in direct formic acid fuel cells (DFAFC)

(2008) Xingwen Yu et al.   JOURNAL OF POWER SOURCES