Passivation of surface states of α-Fe2O3(0001) surface by deposition of Ga2O3 overlayers: A density functional theory study

Toward Settling the Debate on the Role of Fe2O3 Surface States for Water Splitting

(2015) Natav Yatom et al.   Journal of Physical Chemistry C

Nitrogen electrochemically reduced to ammonia with hematite: density-functional insights

(2015) Manh-Thuong Nguyen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A First-Principles Study on the Role of an Al2O3 Overlayer on Fe2O3 for Water Splitting

(2015) Ofer Neufeld et al.   ACS Catalysis

Computational study of α-M2O3 (M = Al, Ga): surface properties, water adsorption and oxidation

(2015) Manh-Thuong Nguyen   RSC Advances

The Role of Surface States in the Oxygen Evolution Reaction on Hematite

(2014) Beniamino Iandolo et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Defective α-Fe2O3(0001): An ab Initio Study

(2014) Manh-Thuong Nguyen et al.   CHEMPHYSCHEM

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

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

Photo-Oxidation of Water on Defective Hematite(0001)

(2014) Manh-Thuong Nguyen et al.   ACS Catalysis

Water adsorption and dissociation on α-Fe2O3(0001): PBE+U calculations

(2013) Manh-Thuong Nguyen et al.   JOURNAL OF CHEMICAL PHYSICS

Water Oxidation at Hematite Photoelectrodes with an Iridium-Based Catalyst

(2013) Laura Badia-Bou et al.   Journal of Physical Chemistry C

Charge carrier trapping, recombination and transfer in hematite (α-Fe2O3) water splitting photoanodes

(2013) Monica Barroso et al.   Chemical Science

Photocatalytic water oxidation with hematite electrodes

(2013) Kelley M. H. Young et al.   Catalysis Science & Technology

Electrochemical and photoelectrochemical investigation of water oxidation with hematite electrodes

(2012) Benjamin Klahr et al.   Energy & Environmental Science

The Transient Photocurrent and Photovoltage Behavior of a Hematite Photoanode under Working Conditions and the Influence of Surface Treatments

(2012) Florian Le Formal et al.   Journal of Physical Chemistry C

Surface properties of clean and Au or Pd covered hematite (α-Fe2O3) (0001)

(2012) Adam Kiejna et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Water Oxidation at Hematite Photoelectrodes: The Role of Surface States

(2012) Benjamin Klahr et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Photoelectrochemical and Impedance Spectroscopic Investigation of Water Oxidation with “Co–Pi”-Coated Hematite Electrodes

(2012) Benjamin Klahr et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Dynamics of photogenerated holes in surface modified  -Fe2O3 photoanodes for solar water splitting

(2012) M. Barroso et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

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

(2011) Kevin Sivula et al.   ChemSusChem

Cathodic shift in onset potential of solar oxygen evolution on hematite by 13-group oxide overlayers

(2011) Takashi Hisatomi et al.   Energy & Environmental Science

Photocatalytic water oxidation with suspended alpha-Fe2O3 particles-effects of nanoscaling

(2011) Troy K. Townsend et al.   Energy & Environmental Science

VESTA 3for three-dimensional visualization of crystal, volumetric and morphology data

(2011) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Hybrid density functional theory band structure engineering in hematite

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

Electron Transport in Pure and Doped Hematite

(2011) Peilin Liao et al.   NANO LETTERS

Testing variations of the GW approximation on strongly correlated transition metal oxides: hematite (α-Fe2O3) as a benchmark

(2011) Peilin Liao et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Passivating surface states on water splitting hematite photoanodes with alumina overlayers

(2011) Florian Le Formal et al.   Chemical Science

Controlling Photoactivity in Ultrathin Hematite Films for Solar Water-Splitting

(2010) Florian Le Formal 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

Improved photoelectrochemical responses of Si and Ti codoped α-Fe2O3 photoanode films

(2010) Minglong Zhang et al.   APPLIED PHYSICS LETTERS

Photoelectrochemical Water Oxidation by Cobalt Catalyst (“Co−Pi”)/α-Fe2O3Composite Photoanodes: Oxygen Evolution and Resolution of a Kinetic Bottleneck

(2010) Diane K. Zhong et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Decoupling Feature Size and Functionality in Solution-Processed, Porous Hematite Electrodes for Solar Water Splitting

(2010) Jeremie Brillet et al.   NANO LETTERS

A first-principles study of bulk oxide formation on Pd(100)

(2009) Nicola Seriani et al.   JOURNAL OF CHEMICAL PHYSICS

Influence of Feature Size, Film Thickness, and Silicon Doping on the Performance of Nanostructured Hematite Photoanodes for Solar Water Splitting

(2009) Ilkay Cesar et al.   Journal of Physical Chemistry C

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

The influence of the film thickness of nanostructured α-Fe2O3 on water photooxidation

(2009) Flavio Leandro Souza et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS