Need for Rationally Designed SnWO4 Photo(electro)catalysts to Overcome the Performance Limitations for O2 and H2 Evolution Reactions

Predicting the Most Suitable Surface Candidates of Ta3N5 Photocatalysts for Water-Splitting Reactions Using Screened Coulomb Hybrid DFT Computations

(2020) Moussab Harb et al.   Journal of Physical Chemistry C

Remarkable Influence of α-SnWO4 Exposed Facets on Their Photocatalytic Performance for H2 and O2 Evolution Reactions

(2020) Moussab Harb et al.   Journal of Physical Chemistry C

Significant Impact of Exposed Facets on the BiVO4 Material Performance for Photocatalytic Water Splitting Reactions

(2020) Sheikha Lardhi et al.   Journal of Physical Chemistry Letters

Grain Boundaries Limit the Charge Carrier Transport in Pulsed Laser Deposited α-SnWO4 Thin Film Photoabsorbers

(2020) Moritz Kölbach et al.   ACS Applied Energy Materials

Nest-like α-SnWO4 nanostructures assembled by nanowires: Facile synthesis and their superior photocatalytic performance

(2019) Xin Zhang et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Insights into the Most Suitable TiO2 Surfaces for Photocatalytic O2 and H2 Evolution Reactions from DFT Calculations

(2019) Moussab Harb et al.   Journal of Physical Chemistry C

Facet engineering of WO3 arrays toward highly efficient and stable photoelectrochemical hydrogen generation from natural seawater

(2019) Jingchao Liu et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

A review on BiVO 4 photocatalyst: Activity enhancement methods for solar photocatalytic applications

(2018) Malathi A. et al.   APPLIED CATALYSIS A-GENERAL

Determination of the Intrinsic Defect at the Origin of Poor H2 Evolution Performance of the Monoclinic BiVO4 Photocatalyst Using Density Functional Theory

(2018) Sheikha Lardhi et al.   Journal of Physical Chemistry C

Revealing the Performance-Limiting Factors in α-SnWO4 Photoanodes for Solar Water Splitting

(2018) Moritz Kölbach et al.   CHEMISTRY OF MATERIALS

Modelling heterogeneous interfaces for solar water splitting

(2017) Tuan Anh Pham et al.   NATURE MATERIALS

Ab initio assessment of Bi1−xRExCuOS (RE = La, Gd, Y, Lu) solid solutions as a semiconductor for photochemical water splitting

(2017) Sheikha Lardhi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Enhancing Charge Carrier Lifetime in Metal Oxide Photoelectrodes through Mild Hydrogen Treatment

(2017) Ji-Wook Jang et al.   Advanced Energy Materials

Determination of the electronic, dielectric, and optical properties of sillenite Bi12TiO20 and perovskite-like Bi4Ti3O12 materials from hybrid first-principle calculations

(2016) Sheikha Lardhi et al.   JOURNAL OF CHEMICAL PHYSICS

Facet engineered interface design of NaYF4:Yb,Tm upconversion nanocrystals on BiOCl nanoplates for enhanced near-infrared photocatalysis

(2016) Lijie Bai et al.   Nanoscale

Recent Trends and Perspectives in Electrochemical Water Splitting with an Emphasis on Sulfide, Selenide, and Phosphide Catalysts of Fe, Co, and Ni: A Review

(2016) Sengeni Anantharaj et al.   ACS Catalysis

Preparation of α-SnWO 4 /SnO 2 heterostructure with enhanced visible-light-driven photocatalytic activity

(2015) Shiyue Yao et al.   APPLIED SURFACE SCIENCE

Synthesis of α-SnWO4 thin-film electrodes by hydrothermal conversion from crystalline WO3

(2015) Kayla J. Pyper et al.   CHINESE CHEMICAL LETTERS

Dynamics of Photogenerated Charge Carriers in WO3/BiVO4 Heterojunction Photoanodes

(2015) Ivan Grigioni et al.   Journal of Physical Chemistry C

External pressure and composition effects on the atomic and electronic structure of SnWO4

(2015) A. Kuzmin et al.   SOLAR ENERGY MATERIALS AND SOLAR CELLS

Combined experimental–theoretical study of the optoelectronic properties of non-stoichiometric pyrochlore bismuth titanate

(2015) Dalal Noureldine et al.   Journal of Materials Chemistry C

A Tantalum Nitride Photoanode Modified with a Hole-Storage Layer for Highly Stable Solar Water Splitting

(2014) Guiji Liu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

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

Nanoporous BiVO4 Photoanodes with Dual-Layer Oxygen Evolution Catalysts for Solar Water Splitting

(2014) T. W. Kim et al.   SCIENCE

Facet engineered Ag3PO4 for efficient water photooxidation

(2013) David James Martin et al.   Energy & Environmental Science

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

Assessing capability of semiconductors to split water using ionization potentials and electron affinities only

(2013) Vladan Stevanović et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Cobalt phosphate-modified barium-doped tantalum nitride nanorod photoanode with 1.5% solar energy conversion efficiency

(2013) Yanbo Li et al.   Nature Communications

Highly Stable Water Splitting on Oxynitride TaON Photoanode System under Visible Light Irradiation

(2012) Masanobu Higashi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A highly stable, efficient visible-light driven water photoelectrolysis system using a nanocrystalline WO3 photoanode and a methane sulfonic acid electrolyte

(2012) Renata Solarska et al.   Nanoscale

Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces

(2011) Isabela C. Man et al.   ChemCatChem

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

(2011) Kevin Sivula et al.   ChemSusChem

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Bi4Ti3O12 nanosheets/TiO2 submicron fibers heterostructures: in situ fabrication and high visible light photocatalytic activity

(2011) Tieping Cao et al.   JOURNAL OF MATERIALS CHEMISTRY

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

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Photocatalytic Water Splitting: Recent Progress and Future Challenges

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

Photocatalytic water splitting by RuO2-loaded metal oxides and nitrides with d0- and d10 -related electronic configurations

(2009) Yasunobu Inoue   Energy & Environmental Science

Photophysical, Photoelectrochemical, and Photocatalytic Properties of Novel SnWO4 Oxide Semiconductors with Narrow Band Gaps

(2009) In-Sun Cho et al.   Journal of Physical Chemistry C

Modeling the electrified solid–liquid interface

(2008) Jan Rossmeisl et al.   CHEMICAL PHYSICS LETTERS

Heterogeneous photocatalyst materials for water splitting

(2008) Akihiko Kudo et al.   CHEMICAL SOCIETY REVIEWS