Trends in adsorption of electrocatalytic water splitting intermediates on cubic ABO3 oxides

Materials for solar fuels and chemicals

(2017) Joseph H. Montoya et al.   NATURE MATERIALS

Combining theory and experiment in electrocatalysis: Insights into materials design

(2017) Zhi Wei Seh et al.   SCIENCE

Two orders of magnitude enhancement in oxygen evolution reactivity on amorphous Ba0.5Sr0.5Co0.8Fe0.2O3−δnanofilms with tunable oxidation state

(2017) Gao Chen et al.   Science Advances

Catalytic Activity and Stability of Oxides: The Role of Near-Surface Atomic Structures and Compositions

(2016) Zhenxing Feng et al.   ACCOUNTS OF CHEMICAL RESEARCH

Functional Independent Scaling Relation for ORR/OER Catalysts

(2016) Rune Christensen et al.   Journal of Physical Chemistry C

Kinetics of Oxygen Surface Exchange on Epitaxial Ruddlesden–Popper Phases and Correlations to First-Principles Descriptors

(2016) Yueh-Lin Lee et al.   Journal of Physical Chemistry Letters

Automated Discovery and Construction of Surface Phase Diagrams Using Machine Learning

(2016) Zachary W. Ulissi et al.   Journal of Physical Chemistry Letters

The Reaction Mechanism with Free Energy Barriers at Constant Potentials for the Oxygen Evolution Reaction at the IrO2 (110) Surface

(2016) Yuan Ping et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Understanding trends in C–H bond activation in heterogeneous catalysis

(2016) Allegra A. Latimer et al.   NATURE MATERIALS

A highly active and stable IrO x /SrIrO 3 catalyst for the oxygen evolution reaction

(2016) Linsey C. Seitz et al.   SCIENCE

A Fundamental Relationship between Reaction Mechanism and Stability in Metal Oxide Catalysts for Oxygen Evolution

(2016) Xi Rong et al.   ACS Catalysis

Semiconducting materials for photoelectrochemical energy conversion

(2016) Kevin Sivula et al.   Nature Reviews Materials

Electrochemical Barriers Made Simple

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

Energetics and Solvation Effects at the Photoanode/Catalyst Interface: Ohmic Contact versus Schottky Barrier

(2015) Yuan Ping et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Benchmarking Hydrogen Evolving Reaction and Oxygen Evolving Reaction Electrocatalysts for Solar Water Splitting Devices

(2015) Charles C. L. McCrory et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Theoretical evaluation of the surface electrochemistry of perovskites with promising photon absorption properties for solar water splitting

(2015) Joseph H. Montoya et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

New design paradigm for heterogeneous catalysts

(2015) Aleksandra Vojvodic et al.   National Science Review

Understanding the Reactivity of Layered Transition-Metal Sulfides: A Single Electronic Descriptor for Structure and Adsorption

(2014) Charlie Tsai et al.   Journal of Physical Chemistry Letters

Nanoscale Limitations in Metal Oxide Electrocatalysts for Oxygen Evolution

(2014) Venkatasubramanian Viswanathan et al.   NANO LETTERS

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

(2014) Charlie Tsai et al.   NANO LETTERS

Active edge sites in MoSe2 and WSe2 catalysts for the hydrogen evolution reaction: a density functional study

(2014) Charlie Tsai 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

Benchmarking Heterogeneous Electrocatalysts for the Oxygen Evolution Reaction

(2013) Charles C. L. McCrory et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

New cubic perovskites for one- and two-photon water splitting using the computational materials repository

(2012) Ivano E. Castelli et al.   Energy & Environmental Science

Influence of Oxygen Evolution during Water Oxidation on the Surface of Perovskite Oxide Catalysts

(2012) Kevin J. May et al.   Journal of Physical Chemistry Letters

Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces

(2011) Isabela C. Man et al.   ChemCatChem

Computational screening of perovskite metal oxides for optimal solar light capture

(2011) Ivano E. Castelli et al.   Energy & Environmental Science

Optimizing Perovskites for the Water-Splitting Reaction

(2011) A. Vojvodic et al.   SCIENCE

A Perovskite Oxide Optimized for Oxygen Evolution Catalysis from Molecular Orbital Principles

(2011) J. Suntivich et al.   SCIENCE

Solar Water Splitting Cells

(2010) Michael G. Walter et al.   CHEMICAL REVIEWS