Energetics and Solvation Effects at the Photoanode/Catalyst Interface: Ohmic Contact versus Schottky Barrier
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April 2015 |
Modelling heterogeneous interfaces for solar water splitting
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January 2017 |
Will Solar-Driven Water-Splitting Devices See the Light of Day?
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September 2013 |
Oxidation and Photo-Oxidation of Water on TiO 2 Surface
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June 2008 |
Role of oxygen vacancies in crystalline WO 3
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January 2016 |
Role of the deep-lying electronic states of MoO3 in the enhancement of hole-injection in organic thin films
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September 2009 |
Two-Dimensional Polaronic Behavior in the Binary Oxides m − HfO 2 and m − ZrO 2
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March 2012 |
Alignment of Redox Levels at Semiconductor–Water Interfaces
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December 2017 |
First principles scheme to evaluate band edge positions in potential transition metal oxide photocatalysts and photoelectrodes
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January 2011 |
Efficient iterative method for calculations of dielectric matrices
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September 2008 |
Improving O2 production of WO3 photoanodes with IrO2 in acidic aqueous electrolyte
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January 2014 |
Electronic and optical properties of nanocrystalline WO 3 thin films studied by optical spectroscopy and density functional calculations
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April 2013 |
Electronic structure and phase stability of oxide semiconductors: Performance of dielectric-dependent hybrid functional DFT, benchmarked against G W band structure calculations and experiments
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April 2015 |
X-ray photon correlation spectroscopy
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August 2014 |
Optical properties of tungsten trioxide from first-principles calculations
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April 2013 |
Alignment of electronic energy levels at electrochemical interfaces
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January 2012 |
A mechanism for the hole-mediated water photooxidation on TiO 2 (1 0 1) surfaces
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January 2016 |
Optimizing the Band Edges of Tungsten Trioxide for Water Oxidation: A First-Principles Study
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March 2014 |
Electronic structure and phase stability of oxide semiconductors: Performance of dielectric-dependent hybrid functional DFT, benchmarked against $GW$ band structure calculations and experiments
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January 2015 |
Nanostructured hematite: synthesis, characterization, charge carrier dynamics, and photoelectrochemical properties
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journal
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January 2012 |
Recent Progress in Photoelectrochemical Water Splitting Activity of WO3 Photoanodes
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April 2018 |
Quantitative characterization of hydroxyl radicals produced by various photocatalysts
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May 2011 |
Large Scale GW Calculations
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May 2015 |
Architecture of Qbox: A scalable first-principles molecular dynamics code
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journal
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January 2008 |
Interfacial Effects on the Band Edges of Functionalized Si Surfaces in Liquid Water
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journal
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November 2014 |
Band gap states in nanocrystalline WO 3 thin films studied by soft x-ray spectroscopy and optical spectrophotometry
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September 2016 |
An STM study of surface structures on WO3(001)
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July 1996 |
The W5+ polaron in crystalline low temperature WO3 ESR and optical absorption
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January 1980 |
Ab initio DFT computation of SnO2 and WO3 slabs and gas–surface interactions
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September 2007 |
Observation of a two-dimensional liquid of Fröhlich polarons at the bare SrTiO3 surface
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October 2015 |
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
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journal
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September 2009 |
Self-consistent hybrid functional for condensed systems
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text
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January 2015 |
Materials for solar fuels and chemicals
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journal
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December 2016 |
Sputtered WO3 films for water splitting applications
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journal
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February 2016 |
Electronic Structure of Defect States in Hydroxylated and Reduced Rutile TiO 2 ( 110 ) Surfaces
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October 2006 |
Solvation effects on the band edge positions of photocatalysts from first principles
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journal
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January 2015 |
Optimized norm-conserving Vanderbilt pseudopotentials
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August 2013 |
Platinized WO 3 as an Environmental Photocatalyst that Generates OH Radicals under Visible Light
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September 2010 |
Facet-dependent trapping and dynamics of excess electrons at anatase TiO2 surfaces and aqueous interfaces
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journal
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June 2016 |
Anisotropic Effects of Oxygen Vacancies on Electrochromic Properties and Conductivity of γ-Monoclinic WO 3
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May 2016 |
Dipole correction for surface supercell calculations
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May 1999 |
Charge generation layers comprising transition metal-oxide/organic interfaces: Electronic structure and charge generation mechanism
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journal
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May 2010 |
Assessing capability of semiconductors to split water using ionization potentials and electron affinities only
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January 2014 |
Self-consistent hybrid functional for condensed systems
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journal
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May 2014 |
DFT Study of Hydrogen Adsorption On the Monoclinic WO 3 (001) Surface
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May 2012 |
Thermally Stable N 2 -Intercalated WO 3 Photoanodes for Water Oxidation
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October 2012 |
First-Principles Approach to Calculating Energy Level Alignment at Aqueous Semiconductor Interfaces
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journal
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October 2014 |
Generalized Gradient Approximation Made Simple
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journal
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October 1996 |
Effect of a Cobalt-Based Oxygen Evolution Catalyst on the Stability and the Selectivity of Photo-Oxidation Reactions of a WO 3 Photoanode
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March 2011 |
Electrochemical deposition and photoelectrochemistry of CuWO4, a promising photoanode for water oxidation
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January 2011 |
Structural and electronic properties of tungsten trioxides: from cluster to solid surface
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July 2011 |
Canonical sampling through velocity rescaling
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January 2007 |
Semiconducting materials for photoelectrochemical energy conversion
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January 2016 |
Optimization algorithm for the generation of ONCV pseudopotentials
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November 2015 |
Dissolution kinetics of WO3 in acidic solutions
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journal
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February 2006 |
Efficient Computation of Hartree–Fock Exchange Using Recursive Subspace Bisection
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December 2012 |
Water Oxidation on Pure and Doped Hematite (0001) Surfaces: Prediction of Co and Ni as Effective Dopants for Electrocatalysis
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August 2012 |
H 2 O Adsorption on WO 3 and WO 3– x (001) Surfaces
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journal
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June 2017 |
Heterojunction BiVO4/WO3 electrodes for enhanced photoactivity of water oxidation
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journal
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January 2011 |
Hydroxide Ions at the Water/Anatase TiO 2 (101) Interface: Structure and Electronic States from First Principles Molecular Dynamics
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journal
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July 2010 |
Ab initio study of oxygen point defects on tungsten trioxide surface
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January 2012 |