Oxygen evolution reaction: Bifunctional mechanism breaking the linear scaling relationship

An Unconventional Iron Nickel Catalyst for the Oxygen Evolution Reaction

(2019) Fang Song et al.   ACS Central Science

Electron and Hole Polarons at the BiVO4–Water Interface

(2019) Julia Wiktor et al.   ACS Applied Materials & Interfaces

Effect of the Solvent on the Oxygen Evolution Reaction at the TiO2–Water Interface

(2019) Patrick Gono et al.   Journal of Physical Chemistry C

Strong Hole Trapping Due to Oxygen Dimers in BiVO4: Effect on the Water Oxidation Reaction

(2019) Francesco Ambrosio et al.   Journal of Physical Chemistry Letters

Surface Polarons Reducing Overpotentials in the Oxygen Evolution Reaction

(2018) Patrick Gono et al.   ACS Catalysis

Role of Polarons in Water Splitting: The Case of BiVO4

(2018) Julia Wiktor et al.   ACS Energy Letters

Theoretical Insight into the Mechanism of Photoelectrochemical Oxygen Evolution Reaction on BiVO4 Anode with Oxygen Vacancy

(2017) Jun Hu et al.   Journal of Physical Chemistry C

Solvation Effects for Oxygen Evolution Reaction Catalysis on IrO2(110)

(2017) Joseph A. Gauthier et al.   Journal of Physical Chemistry C

Materials for solar fuels and chemicals

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

Functional Independent Scaling Relation for ORR/OER Catalysts

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

Variation in Surface Ionization Potentials of Pristine and Hydrated BiVO4

(2015) Rachel Crespo-Otero et al.   Journal of Physical Chemistry Letters

Unique Electronic and Structural Effects in Vanadia/Ceria-Catalyzed Reactions

(2015) Xin-Ping Wu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Identifying the distinct features of geometric structures for hole trapping to generate radicals on rutile TiO2(110) in photooxidation using density functional theory calculations with hybrid functional

(2015) Dong Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Aligning Electronic and Protonic Energy Levels of Proton-Coupled Electron Transfer in Water Oxidation on Aqueous TiO2

(2014) Jun Cheng et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Electronic Structure of Monoclinic BiVO4

(2014) Jason K. Cooper et al.   CHEMISTRY OF MATERIALS

Identifying Trapped Electronic Holes at the Aqueous TiO2 Interface

(2014) Jun Cheng et al.   Journal of Physical Chemistry C

cp2k: atomistic simulations of condensed matter systems

(2013) Jürg Hutter et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Hole Localization and Thermochemistry of Oxidative Dehydrogenation of Aqueous Rutile TiO2(110)

(2012) Jun Cheng et al.   ChemCatChem

Identifying active surface phases for metal oxide electrocatalysts: a study of manganese oxide bi-functional catalysts for oxygen reduction and water oxidation catalysis

(2012) Hai-Yan Su et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces

(2011) Isabela C. Man et al.   ChemCatChem

Bulk and Surface Polarons in Photoexcited Anatase TiO2

(2011) Cristiana Di Valentin et al.   Journal of Physical Chemistry Letters

How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels

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

Auxiliary Density Matrix Methods for Hartree−Fock Exchange Calculations

(2010) Manuel Guidon et al.   Journal of Chemical Theory and Computation

Mechanism and Activity of Photocatalytic Oxygen Evolution on Titania Anatase in Aqueous Surroundings

(2010) Ye-Fei Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Surface potentials of magnetron sputtered transparent conducting oxides

(2009) A. Klein et al.   THIN SOLID FILMS

Density-Functional Analysis of Hydrogen on Pt(111): Electric Field, Solvent, and Coverage Effects

(2008) Ikutaro Hamada et al.   Journal of Physical Chemistry C

Oxidation and Photo-Oxidation of Water on TiO2 Surface

(2008) Á. Valdés et al.   Journal of Physical Chemistry C