Understanding the advantage of hexagonal WO3 as an efficient photoanode for solar water splitting: a first-principles perspective

Unraveling the Intercalation Chemistry of Hexagonal Tungsten Bronze and Its Optical Responses

(2016) Yonghyuk Lee et al.   CHEMISTRY OF MATERIALS

Band energy control of molybdenum oxide by surface hydration

(2015) Keith T. Butler et al.   APPLIED PHYSICS 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

High Surface Area Tunnels in Hexagonal WO3

(2015) Wanmei Sun et al.   NANO LETTERS

Solvation effects on the band edge positions of photocatalysts from first principles

(2015) Yuan Ping et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Computing Equilibrium Shapes of Wurtzite Crystals: The Example of GaN

(2015) Hong Li et al.   PHYSICAL REVIEW LETTERS

Oxygen-Deficient Tungsten Oxide as Versatile and Efficient Hydrogenation Catalyst

(2015) Jiajia Song et al.   ACS Catalysis

In Situ Total X-Ray Scattering Study of WO3Nanoparticle Formation under Hydrothermal Conditions

(2014) Dipankar Saha et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways

(2014) Kiran Mathew et al.   JOURNAL OF CHEMICAL PHYSICS

Theoretical Study of Pt Cocatalyst Loading on Anatase TiO2(101) Surface: From Surface Doping to Interface Forming

(2014) Zong-Yan Zhao   Journal of Physical Chemistry C

Optimizing the Band Edges of Tungsten Trioxide for Water Oxidation: A First-Principles Study

(2014) Yuan Ping et al.   Journal of Physical Chemistry C

Why does bromine square palladium off? An ab initio study of brominated palladium and its nanomorphology

(2014) Su-Hyun Yoo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Bulk ionization potentials and band alignments from three-dimensional periodic calculations as demonstrated on rocksalt oxides

(2014) Andrew J. Logsdail et al.   PHYSICAL REVIEW B

Z-Scheme Water Splitting Using Two Different Semiconductor Photocatalysts

(2013) Kazuhiko Maeda   ACS Catalysis

Tungsten Oxide Clathrates for Water Oxidation: A First Principles Study

(2012) Yuan Ping et al.   CHEMISTRY OF MATERIALS

Thermodynamic Oxidation and Reduction Potentials of Photocatalytic Semiconductors in Aqueous Solution

(2012) Shiyou Chen et al.   CHEMISTRY OF MATERIALS

Effect of Electrolytes on the Selectivity and Stability of n-type WO3 Photoelectrodes for Use in Solar Water Oxidation

(2012) James C. Hill et al.   Journal of Physical Chemistry C

Environment-dependent nanomorphology of TiN: the influence of surface vacancies

(2012) Taehun Lee et al.   Nanoscale

First-principles study of hexagonal tungsten trioxide: Nature of lattice distortions and effect of potassium doping

(2012) Peter Krüger et al.   PHYSICAL REVIEW B

Hexagonal single crystal growth of WO3 nanorods along a [110] axis with enhanced adsorption capacity

(2011) Jian Zhu et al.   CHEMICAL COMMUNICATIONS

Effect of a Cobalt-Based Oxygen Evolution Catalyst on the Stability and the Selectivity of Photo-Oxidation Reactions of a WO3Photoanode

(2011) Jason A. Seabold et al.   CHEMISTRY OF MATERIALS

Electrochemical deposition and photoelectrochemistry of CuWO4, a promising photoanode for water oxidation

(2011) Joseph E. Yourey et al.   JOURNAL OF MATERIALS CHEMISTRY

Van der Waals density functionals applied to solids

(2011) Jiří Klimeš et al.   PHYSICAL REVIEW B

Charge generation layers comprising transition metal-oxide/organic interfaces: Electronic structure and charge generation mechanism

(2010) J. Meyer et al.   APPLIED PHYSICS LETTERS

Solar Water Splitting Cells

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

Role of the deep-lying electronic states of MoO3 in the enhancement of hole-injection in organic thin films

(2009) M. Kröger et al.   APPLIED PHYSICS LETTERS

Native defect-induced multifarious magnetism in nonstoichiometric cuprous oxide: First-principles study of bulk and surface properties ofCu2−δO

(2009) Aloysius Soon et al.   PHYSICAL REVIEW B