Recent theoretical progress in the development of photoanode materials for solar water splitting photoelectrochemical cells

Well-Constructed Single-Layer Molybdenum Disulfide Nanorose Cross-Linked by Three Dimensional-Reduced Graphene Oxide Network for Superior Water Splitting and Lithium Storage Property

(2015) Yanyan Zhao et al.   Scientific Reports

The role of the isolated 6s states in BiVO4 on the electronic and atomic structures

(2014) Jie Ma et al.   APPLIED PHYSICS LETTERS

Electronic Structure of Monoclinic BiVO4

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

Critical Role of the Semiconductor–Electrolyte Interface in Photocatalytic Performance for Water-Splitting Reactions Using Ta3N5 Particles

(2014) Ela Nurlaela et al.   CHEMISTRY OF MATERIALS

Photo-driven oxidation of water on α-Fe2O3 surfaces: An ab initio study

(2014) Manh-Thuong Nguyen et al.   JOURNAL OF CHEMICAL PHYSICS

Major Difference in Visible-Light Photocatalytic Features between Perfect and Self-Defective Ta3N5 Materials: A Screened Coulomb Hybrid DFT Investigation

(2014) Moussab Harb et al.   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

Towards highly efficient photoanodes: boosting sunlight-driven semiconductor nanomaterials for water oxidation

(2014) Jiayong Gan et al.   Nanoscale

Ab initio study of TaON, an active photocatalyst under visible light irradiation

(2014) A. H. Reshak   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Unravelling the correlated electronic and optical properties of BaTaO2N with perovskite-type structure as a potential candidate for solar energy conversion

(2014) Ahmed M. Hafez et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Tuning the properties of visible-light-responsive tantalum (oxy)nitride photocatalysts by non-stoichiometric compositions: a first-principles viewpoint

(2014) Moussab Harb et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Optoelectronic properties ofTa3N5: A joint theoretical and experimental study

(2014) Juliana M. Morbec et al.   PHYSICAL REVIEW B

Aligned Fe2TiO5-containing nanotube arrays with low onset potential for visible-light water oxidation

(2014) Qinghua Liu et al.   Nature Communications

A Density Functional Theory Study of the Adsorption of Benzene on Hematite (α-Fe2O3) Surfaces

(2014) Nelson Dzade et al.   Minerals

Hierarchical metastable γ-TaON hollow structures for efficient visible-light water splitting

(2013) Zheng Wang et al.   Energy & Environmental Science

DFT study of mercury adsorption on α-Fe2O3 surface: Role of oxygen

(2013) Tao Liu et al.   FUEL

Effects of oxygen doping on optical band gap and band edge positions of Ta3N5 photocatalyst: A GGA+U calculation

(2013) Jiajia Wang et al.   JOURNAL OF CATALYSIS

New Insights into the Origin of Visible-Light Photocatalytic Activity in Se-Modified Anatase TiO2 from Screened Coulomb Hybrid DFT Calculations

(2013) Moussab Harb   Journal of Physical Chemistry C

Anionic or Cationic S-Doping in Bulk Anatase TiO2: Insights on Optical Absorption from First Principles Calculations

(2013) M. Harb et al.   Journal of Physical Chemistry C

Determination of the Electronic Structure and UV–Vis Absorption Properties of (Na2–xCux)Ta4O11 from First-Principle Calculations

(2013) Moussab Harb et al.   Journal of Physical Chemistry C

Theoretical Understanding of Enhanced Photoelectrochemical Catalytic Activity of Sn-Doped Hematite: Anisotropic Catalysis and Effects of Morin Transition and Sn Doping

(2013) Xiangying Meng et al.   Journal of Physical Chemistry C

Screened Coulomb Hybrid DFT Study on Electronic Structure and Optical Properties of Anionic and Cationic Te-Doped Anatase TiO2

(2013) Moussab Harb   Journal of Physical Chemistry C

Computational and Photoelectrochemical Study of Hydrogenated Bismuth Vanadate

(2013) Gongming Wang et al.   Journal of Physical Chemistry C

Decoupling hydrogen and oxygen evolution during electrolytic water splitting using an electron-coupled-proton buffer

(2013) Mark D. Symes et al.   Nature Chemistry

Identifying champion nanostructures for solar water-splitting

(2013) Scott C. Warren et al.   NATURE MATERIALS

Thermodynamics of native point defects in α-Fe2O3: an ab initio study

(2013) Joohee Lee et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Optical properties of tungsten trioxide from first-principles calculations

(2013) Yuan Ping et al.   PHYSICAL REVIEW B

Oxygen vacancies promoting photoelectrochemical performance of In2O3 nanocubes

(2013) Jiayong Gan et al.   Scientific Reports

Vertically Aligned Ta3N5Nanorod Arrays for Solar-Driven Photoelectrochemical Water Splitting

(2012) Yanbo Li et al.   ADVANCED MATERIALS

Progress in bismuth vanadate photoanodes for use in solar water oxidation

(2012) Yiseul Park et al.   CHEMICAL SOCIETY REVIEWS

Tungsten Oxide Clathrates for Water Oxidation: A First Principles Study

(2012) Yuan Ping et al.   CHEMISTRY OF MATERIALS

A quantitative assessment of the competition between water and anion oxidation at WO3 photoanodes in acidic aqueous electrolytes

(2012) Qixi Mi et al.   Energy & Environmental Science

First-principles simulation of arsenate adsorption on the (11¯2) surface of hematite

(2012) Marc Blanchard et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Doping of WO3 for Photocatalytic Water Splitting: Hints from Density Functional Theory

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

Electronic and optical properties of TaO1−xN1+x-based alloys

(2012) Nabil Al-Aqtash et al.   JOURNAL OF SOLID STATE CHEMISTRY

Thermally Stable N2-Intercalated WO3 Photoanodes for Water Oxidation

(2012) Qixi Mi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

Highly efficient water splitting by a dual-absorber tandem cell

(2012) Jeremie Brillet et al.   Nature Photonics

Unravelling the interplay of crystal structure and electronic band structure of tantalum oxide (Ta2O5)

(2012) Ramy Nashed et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Hybrid density functional study of the structural, bonding, and electronic properties of bismuth vanadate

(2012) Kyoung E. Kweon et al.   PHYSICAL REVIEW B

Density functional theory characterization of phosphate and sulfate adsorption on Fe-(hydr)oxide: Reactivity, pH effect, estimation of Gibbs free energies, and topological analysis of hydrogen bonds

(2012) Nancy Y. Acelas et al.   Computational and Theoretical Chemistry

Intrinsic defects and electronic conductivity of TaON: First-principles insights

(2011) Shiyou Chen et al.   APPLIED PHYSICS LETTERS

Enhanced photoelectrochemical activity for Cu and Ti doped hematite: The first principles calculations

(2011) X. Y. Meng et al.   APPLIED PHYSICS LETTERS

Solar Water Splitting: Progress Using Hematite (α-Fe2O3) Photoelectrodes

(2011) Kevin Sivula et al.   ChemSusChem

Hydrogen-treated WO3 nanoflakes show enhanced photostability

(2011) Gongming Wang et al.   Energy & Environmental Science

Hybrid density functional theory band structure engineering in hematite

(2011) Zachary D. Pozun et al.   JOURNAL OF CHEMICAL PHYSICS

Recent progress on photocatalytic and photoelectrochemical water splitting under visible light irradiation

(2011) Ryu Abe   JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY C-PHOTOCHEMISTRY REVIEWS

Electronic and Structural Properties of WO3: A Systematic Hybrid DFT Study

(2011) Fenggong Wang et al.   Journal of Physical Chemistry C

Origin of the Enhanced Visible-Light Absorption in N-Doped Bulk Anatase TiO2 from First-Principles Calculations

(2011) M. Harb et al.   Journal of Physical Chemistry C

First-Principles Study of Photoinduced Water-Splitting on Fe2O3

(2011) Anders Hellman et al.   Journal of Physical Chemistry C

Factors in the Metal Doping of BiVO4 for Improved Photoelectrocatalytic Activity as Studied by Scanning Electrochemical Microscopy and First-Principles Density-Functional Calculation

(2011) Hyun S. Park et al.   Journal of Physical Chemistry C

Role and Function of Ruthenium Species as Promoters with TaON-Based Photocatalysts for Oxygen Evolution in Two-Step Water Splitting under Visible Light

(2011) Kazuhiko Maeda et al.   Journal of Physical Chemistry C

Roles of Bi, M and VO4 tetrahedron in photocatalytic properties of novel Bi0.5M0.5VO4 (M=La, Eu, Sm and Y) solid solutions for overall water splitting

(2011) Hui Liu et al.   JOURNAL OF SOLID STATE CHEMISTRY

Metal oxide nanomaterials for solar hydrogen generation from photoelectrochemical water splitting

(2011) Jin Zhong Zhang   MRS BULLETIN

Electron Transport in Pure and Doped Hematite

(2011) Peilin Liao et al.   NANO LETTERS

Density functional theory study of Al-doped hematite

(2011) Richard Rivera et al.   PHYSICA SCRIPTA

Electronic structure and optical properties of monoclinic clinobisvanite BiVO4

(2011) Zongyan Zhao et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

First-principles studies of Ta2O5polymorphs

(2011) Yu-Ning Wu et al.   PHYSICAL REVIEW B

Doping properties of monoclinic BiVO4studied by first-principles density-functional theory

(2011) Wan-Jian Yin et al.   PHYSICAL REVIEW B

DFT study of Sb(III) and Sb(V) adsorption and heterogeneous oxidation on hydrated oxide surfaces

(2011) Sara E. Mason et al.   Computational and Theoretical Chemistry

Synthesis of WO3@Graphene composite for enhanced photocatalytic oxygen evolution from water

(2011) Jingjing Guo et al.   RSC Advances

Reactive Ballistic Deposition of α-Fe2O3 Thin Films for Photoelectrochemical Water Oxidation

(2010) Nathan T. Hahn et al.   ACS Nano

N-Doped CsTaWO6 as a New Photocatalyst for Hydrogen Production from Water Splitting Under Solar Irradiation

(2010) Aniruddh Mukherji et al.   ADVANCED FUNCTIONAL MATERIALS

Light-Induced Water Splitting with Hematite: Improved Nanostructure and Iridium Oxide Catalysis

(2010) S. David Tilley et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Solar Water Splitting Cells

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

Low-temperature mechanism for formation of coarse crystalline hematite through nanoparticle aggregation

(2010) A.S. Madden et al.   EARTH AND PLANETARY SCIENCE LETTERS

Extended survival of several organisms and amino acids under simulated martian surface conditions

(2010) A.P. Johnson et al.   ICARUS

First-Principles Study of the Electronic, Optical Properties and Lattice Dynamics of Tantalum Oxynitride

(2010) Pan Li et al.   INORGANIC CHEMISTRY

Characterization of photoelectrochemical cells for water splitting by electrochemical impedance spectroscopy

(2010) Tânia Lopes et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Tungsten oxides. I. Effects of oxygen vacancies and doping on electronic and optical properties of different phases of WO3

(2010) D. B. Migas et al.   JOURNAL OF APPLIED PHYSICS

Electronic, structural, and magnetic effects of 3d transition metals in hematite

(2010) Muhammad N. Huda et al.   JOURNAL OF APPLIED PHYSICS

Tetragonal tungsten oxide nanobelts synthesized by chemical vapor deposition

(2010) Wei Wu et al.   JOURNAL OF CRYSTAL GROWTH

Highly active tantalum(v) nitride nanoparticles prepared from a mesoporous carbon nitride template for photocatalytic hydrogen evolution under visible light irradiation

(2010) Leny Yuliati et al.   JOURNAL OF MATERIALS CHEMISTRY

Synthesis and Characterization of Semiconductor Tantalum Nitride Nanoparticles

(2010) Chiun-Teh Ho et al.   Journal of Physical Chemistry C

Water Adsorption on α-Fe2O3(0001) at near Ambient Conditions

(2010) Susumu Yamamoto et al.   Journal of Physical Chemistry C

Rapid Screening of BiVO4-Based Photocatalysts by Scanning Electrochemical Microscopy (SECM) and Studies of Their Photoelectrochemical Properties

(2010) Heechang Ye et al.   Journal of Physical Chemistry C

Semiconducting Oxides to Facilitate the Conversion of Solar Energy to Chemical Fuels

(2010) Upendra A. Joshi et al.   Journal of Physical Chemistry Letters

Photocatalytic Water Splitting: Recent Progress and Future Challenges

(2010) Kazuhiko Maeda et al.   Journal of Physical Chemistry Letters

Efficient Nonsacrificial Water Splitting through Two-Step Photoexcitation by Visible Light using a Modified Oxynitride as a Hydrogen Evolution Photocatalyst

(2010) Kazuhiko Maeda et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Facile Fabrication of an Efficient Oxynitride TaON Photoanode for Overall Water Splitting into H2and O2under Visible Light Irradiation

(2010) Ryu Abe et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Band structure engineering of semiconductors for enhanced photoelectrochemical water splitting: The case ofTiO2

(2010) Wan-Jian Yin et al.   PHYSICAL REVIEW B

Atomic and Electronic Structures ofGaN/ZnOAlloys

(2010) Shuzhi Wang et al.   PHYSICAL REVIEW LETTERS

Anisotropic photocatalytic properties of hematite

(2009) Carrick M. Eggleston et al.   AQUATIC SCIENCES

Band Edge Electronic Structure of BiVO4: Elucidating the Role of the Bi s and V d Orbitals

(2009) Aron Walsh et al.   CHEMISTRY OF MATERIALS

Electrodeposited Aluminum-Doped α-Fe2O3Photoelectrodes: Experiment and Theory

(2009) Alan Kleiman-Shwarsctein et al.   CHEMISTRY OF MATERIALS

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

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

Accelerating materials development for photoelectrochemical hydrogen production: Standards for methods, definitions, and reporting protocols

(2009) Zhebo Chen et al.   JOURNAL OF MATERIALS RESEARCH

Nitrogen-Doped ZnO Nanowire Arrays for Photoelectrochemical Water Splitting

(2009) Xunyu Yang et al.   NANO LETTERS

Exchange-induced negative-Ucharge order in N-dopedWO3: A spin-Peierls-like system

(2009) Muhammad N. Huda et al.   PHYSICAL REVIEW B

DFT studies of Cr(VI) complex adsorption on hydroxylated hematite () surfaces

(2009) Shuxia Yin et al.   SURFACE SCIENCE

Synthesis and characterization of mesoporous Ta2O5–TiO2 photocatalysts for water splitting

(2008) Mikołaj Stodolny et al.   CATALYSIS TODAY

Heterogeneous photocatalyst materials for water splitting

(2008) Akihiko Kudo et al.   CHEMICAL SOCIETY REVIEWS

Electronic Surface Level Positions of WO3Thin Films for Photoelectrochemical Hydrogen Production

(2008) L. Weinhardt et al.   Journal of Physical Chemistry C

Structural and Photoelectrochemical Properties of BiVO4Thin Films

(2008) Hongmei Luo 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

Hematite Hollow Spheres with a Mesoporous Shell: Controlled Synthesis and Applications in Gas Sensor and Lithium Ion Batteries

(2008) Zhengcui Wu et al.   Journal of Physical Chemistry C

Monodisperse hematite porous nanospheres: synthesis, characterization, and applications for gas sensors

(2008) Xinglong Gou et al.   NANOTECHNOLOGY

Density-functional theory study of the effects of atomic impurity on the band edges of monoclinicWO3

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

In Situ Formation of an Oxygen-Evolving Catalyst in Neutral Water Containing Phosphate and Co2+

(2008) M. W. Kanan et al.   SCIENCE

Opportunities and challenges in science and technology of WO3 for electrochromic and related applications

(2007) Satyen K. Deb   SOLAR ENERGY MATERIALS AND SOLAR CELLS