Identifying the bottleneck of water oxidation by ab initio analysis of in situ optical absorbance spectrum

Electronic Structure of Catalysis Intermediates by the G0W0 Approximation

(2016) Natav Yatom et al.   CATALYSIS LETTERS

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

(2016) Kanchan Ulman et al.   JOURNAL OF CHEMICAL PHYSICS

Detection of Intermediate Species in Oxygen Evolution on Hematite Electrodes Using Spectroelectrochemical Measurements

(2016) Toshihiro Takashima et al.   Journal of Physical Chemistry C

Oxygen Evolution at Hematite Surfaces: The Impact of Structure and Oxygen Vacancies on Lowering the Overpotential

(2016) Xueqing Zhang et al.   Journal of Physical Chemistry C

Orientation Sensitivity of Oxygen Evolution Reaction on Hematite

(2016) Xueqing Zhang et al.   Journal of Physical Chemistry C

Determination of photoelectrochemical water oxidation intermediates on haematite electrode surfaces using operando infrared spectroscopy

(2016) Omid Zandi et al.   Nature Chemistry

Manipulating electrochemical performance through doping beyond the solubility limit

(2016) Natav Yatom et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

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

Platinum-Doped α-Fe2O3 for Enhanced Water Splitting Efficiency: A DFT+U Study

(2015) Ofer Neufeld et al.   Journal of Physical Chemistry C

Rate Law Analysis of Water Oxidation on a Hematite Surface

(2015) Florian Le Formal et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Hazardous Doping for Photo-Electrochemical Conversion: The Case of Nb-Doped Fe2O3 from First Principles

(2015) Natav Yatom et al.   MOLECULES

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

(2015) Ofer Neufeld et al.   ACS Catalysis

The rise of hematite: origin and strategies to reduce the high onset potential for the oxygen evolution reaction

(2015) Beniamino Iandolo et al.   Journal of Materials Chemistry A

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

Theoretical Insights into the Mechanism of Water Oxidation on Nonstoichiometric and Titanium-Doped Fe2O3(0001)

(2014) Maytal Caspary Toroker   Journal of Physical Chemistry C

Water Oxidation on Hematite Photoelectrodes: Insight into the Nature of Surface States through In Situ Spectroelectrochemistry

(2014) Benjamin Klahr 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

Electrochemical and photoelectrochemical investigation of water oxidation with hematite electrodes

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

Optical properties of iron oxide (α-Fe2O3) thin films deposited by the reactive evaporation of iron

(2012) M.F. Al-Kuhaili et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Energetics and kinetics of light-driven oxygen evolution at semiconductor electrodes: the example of hematite

(2012) Laurence M. Peter   JOURNAL OF SOLID STATE ELECTROCHEMISTRY

Water Oxidation at Hematite Photoelectrodes: The Role of Surface States

(2012) Benjamin Klahr 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

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

Kinetics of light-driven oxygen evolution at α-Fe2O3electrodes

(2011) Laurence M. Peter et al.   FARADAY DISCUSSIONS

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

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

First-Principles Study of Photoinduced Water-Splitting on Fe2O3

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

New Insights into Water Splitting at Mesoporous α-Fe2O3 Films: A Study by Modulated Transmittance and Impedance Spectroscopies

(2011) Charles Y. Cummings et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Mechanism of Water Oxidation: From Electrolysis via Homogeneous to Biological Catalysis

(2010) Holger Dau et al.   ChemCatChem

Oxidation of inorganic contaminants by ferrates (VI, V, and IV)–kinetics and mechanisms: A review

(2010) Virender K. Sharma   JOURNAL OF ENVIRONMENTAL MANAGEMENT

Ab initio DFT + U predictions of tensile properties of iron oxides

(2010) Peilin Liao et al.   JOURNAL OF MATERIALS CHEMISTRY

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

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

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

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

Nanostructured hematite thin films produced by spin-coating deposition solution: Application in water splitting

(2009) Flavio L. Souza et al.   SOLAR ENERGY MATERIALS AND SOLAR CELLS

Rotationally invariant ab initio evaluation of Coulomb and exchange parameters for DFT+U calculations

(2008) Nicholas J. Mosey et al.   JOURNAL OF CHEMICAL PHYSICS