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

Modeling the Oxygen Evolution Reaction on Metal Oxides: The Infuence of Unrestricted DFT Calculations

(2014) Rik V. Mom et al.   Journal of Physical Chemistry C

Identifying Trapped Electronic Holes at the Aqueous TiO2 Interface

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

The electric double layer at a rutile TiO2water interface modelled using density functional theory based molecular dynamics simulation

(2014) J Cheng et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Theory of multiple proton–electron transfer reactions and its implications for electrocatalysis

(2013) Marc T. M. Koper   Chemical Science

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

(2012) Jun Cheng et al.   ChemCatChem

Electrochemical approach to proton-coupled electron transfers: recent advances

(2012) Jean-Michel Savéant   Energy & Environmental Science

Water Oxidation on Pure and Doped Hematite (0001) Surfaces: Prediction of Co and Ni as Effective Dopants for Electrocatalysis

(2012) Peilin Liao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Alignment of electronic energy levels at electrochemical interfaces

(2012) Jun Cheng et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Theory of the transition from sequential to concerted electrochemical proton–electron transfer

(2012) Marc T. M. Koper   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Titanium and Zinc Oxide Nanoparticles Are Proton-Coupled Electron Transfer Agents

(2012) J. N. Schrauben et al.   SCIENCE

Effective Reversible Potential, Energy Loss, and Overpotential on Platinum Fuel Cell Cathodes

(2011) Feng Tian et al.   Journal of Physical Chemistry C

Insights into electrocatalysis

(2011) Alfred B. Anderson   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Thermochemistry of Proton-Coupled Electron Transfer Reagents and its Implications

(2010) Jeffrey J. Warren et al.   CHEMICAL REVIEWS

Theory of Coupled Electron and Proton Transfer Reactions

(2010) Sharon Hammes-Schiffer et al.   CHEMICAL REVIEWS

Acidity of the Aqueous Rutile TiO2(110) Surface from Density Functional Theory Based Molecular Dynamics

(2010) Jun Cheng et al.   Journal of Chemical Theory and Computation

Auxiliary Density Matrix Methods for Hartree−Fock Exchange Calculations

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

Mechanism and Tafel Lines of Electro-Oxidation of Water to Oxygen on RuO2(110)

(2010) Ya-Hui Fang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

Aligning electronic energy levels at theTiO2/H2Ointerface

(2010) Jun Cheng et al.   PHYSICAL REVIEW B

Redox potentials and pKa for benzoquinone from density functional theory based molecular dynamics

(2009) Jun Cheng et al.   JOURNAL OF CHEMICAL PHYSICS

Oxidation and Photo-Oxidation of Water on TiO2 Surface

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

Insights into Current Limitations of Density Functional Theory

(2008) A. J. Cohen et al.   SCIENCE