Computational investigation of structural and electronic properties of aqueous interfaces of GaN, ZnO, and a GaN/ZnO alloy

Solvent-Induced Proton Hopping at a Water–Oxide Interface

(2014) Gabriele Tocci et al.   Journal of Physical Chemistry Letters

Effect of Hydrogen and Oxygen Evolution Cocatalysts on Photocatalytic Activity of GaN:ZnO

(2013) Anke Xiong et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Synthesis and Characterization of Visible Light Absorbing (GaN)1–x(ZnO)x Semiconductor Nanorods

(2013) Alexandra A. Reinert et al.   INORGANIC CHEMISTRY

Hydrogen-Bond Dynamics of Water at the Interface with InP/GaP(001) and the Implications for Photoelectrochemistry

(2013) Brandon C. Wood et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Nonadiabatic Dynamics of Positive Charge during Photocatalytic Water Splitting on GaN(10-10) Surface: Charge Localization Governs Splitting Efficiency

(2013) Alexey V. Akimov et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Highly Compressed Two-Dimensional Form of Water at Ambient Conditions

(2013) Sarp Kaya et al.   Scientific Reports

Structure and Dynamics of Liquid Water from ab Initio Molecular Dynamics—Comparison of BLYP, PBE, and revPBE Density Functionals with and without van der Waals Corrections

(2012) I-Chun Lin et al.   Journal of Chemical Theory and Computation

Water Dissociation at the GaN(101̅0) Surface: Structure, Dynamics and Surface Acidity

(2012) Jue Wang et al.   Journal of Physical Chemistry C

Structural and Band Gap Investigation of GaN:ZnO Heterojunction Solid Solution Photocatalyst Probed by Soft X-ray Spectroscopy

(2012) E. J. McDermott et al.   Journal of Physical Chemistry C

(Ga1–xZnx)(N1–xOx) Nanocrystals: Visible Absorbers with Tunable Composition and Absorption Spectra

(2012) Kyureon Lee et al.   NANO LETTERS

Alignment of electronic energy levels at electrochemical interfaces

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

Density, structure, and dynamics of water: The effect of van der Waals interactions

(2011) Jue Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Structural and Vibrational Properties of Liquid Water from van der Waals Density Functionals

(2011) Cui Zhang et al.   Journal of Chemical Theory and Computation

Ab Initio van der Waals Interactions in Simulations of Water Alter Structure from Mainly Tetrahedral to High-Density-Like

(2011) Andreas Møgelhøj et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Wafer-Level Photocatalytic Water Splitting on GaN Nanowire Arrays Grown by Molecular Beam Epitaxy

(2011) Defa Wang et al.   NANO LETTERS

Phase diagram, structure, and electronic properties of (Ga1−xZnx)(N1−xOx) solid solutions from DFT-based simulations

(2011) Li Li et al.   PHYSICAL REVIEW B

Electronic Structure of (Ga1−xZnx)N1−xOx Photocatalyst for Water Splitting by Hybrid Hartree-Fock Density Functional Theory Methods

(2010) Cristiana Di Valentin   Journal of Physical Chemistry C

Photocatalytic Water Oxidation at the GaN (101̅0)−Water Interface

(2010) Xiao Shen et al.   Journal of Physical Chemistry C

Cluster Study of the Photo-Oxidation of Water on Rutile Titanium Dioxide (TiO2)

(2010) Á. Valdés et al.   Journal of Physical Chemistry C

In Situ XRD Studies of ZnO/GaN Mixtures at High Pressure and High Temperature: Synthesis of Zn-Rich (Ga1−xZnx)(N1−xOx) Photocatalysts

(2010) Haiyan Chen et al.   Journal of Physical Chemistry C

Hydroxide Ions at the Water/Anatase TiO2(101) Interface: Structure and Electronic States from First Principles Molecular Dynamics

(2010) Hongzhi Cheng et al.   LANGMUIR

Aligning electronic energy levels at theTiO2/H2Ointerface

(2010) Jun Cheng et al.   PHYSICAL REVIEW B

Atomic and Electronic Structures ofGaN/ZnOAlloys

(2010) Shuzhi Wang et al.   PHYSICAL REVIEW LETTERS

First principles study of the photo-oxidation of water on tungsten trioxide (WO3)

(2009) Á. Valdés et al.   JOURNAL OF CHEMICAL PHYSICS

Water Adsorption on the GaN (101̅0) Nonpolar Surface

(2009) Xiao Shen et al.   Journal of Physical Chemistry C

Preparation of (Ga1−xZnx)(N1−xOx) Photocatalysts from the Reaction of NH3 with Ga2O3/ZnO and ZnGa2O4: In Situ Time-Resolved XRD and XAFS Studies

(2009) Haiyan Chen et al.   Journal of Physical Chemistry C

Towards the computational design of solid catalysts

(2009) J. K. Nørskov et al.   Nature Chemistry

Oxidation and Photo-Oxidation of Water on TiO2 Surface

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

First-Principles Studies of the Structural and Electronic Properties of the (Ga1-xZnx)(N1-xOx) Solid Solution Photocatalyst

(2008) Lin Lin Jensen et al.   Journal of Physical Chemistry C

Origin of the Visible Light Absorption of GaN-Rich Ga1−x ZnxN1−xOx (x = 0.125) Solid Solution

(2008) Wei Wei et al.   Journal of Physical Chemistry C

Density Oscillations in a Nanoscale Water Film on Salt: Insight from Ab Initio Molecular Dynamics

(2008) Limin Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electronic structure of ZnO:GaN compounds: Asymmetric bandgap engineering

(2008) Muhammad N. Huda et al.   PHYSICAL REVIEW B

Quantum Differences between Heavy and Light Water

(2008) A. K. Soper et al.   PHYSICAL REVIEW LETTERS