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

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

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

Theoretical Investigation of the Activity of Cobalt Oxides for the Electrochemical Oxidation of Water

(2013) Michal Bajdich et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Identifying champion nanostructures for solar water-splitting

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

Toward solar fuels: Water splitting with sunlight and “rust”?

(2012) Michael J. Katz et al.   COORDINATION CHEMISTRY REVIEWS

Environmentally dependent stability of low-index hematite surfaces

(2012) Haibo Guo et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Effect of surface site interactions on potentiometric titration of hematite (α-Fe2O3) crystal faces

(2012) Shawn Chatman et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Importance of Correlation in Determining Electrocatalytic Oxygen Evolution Activity on Cobalt Oxides

(2012) Mónica García-Mota 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 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

A DFT study of the hematite surface state in the presence of H2, H2O and O2

(2012) Sidi M.O. Souvi et al.   SURFACE SCIENCE

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

(2011) Kevin Sivula et al.   ChemSusChem

Hematite-based solar water splitting: challenges and opportunities

(2011) Yongjing Lin et al.   Energy & Environmental Science

First-Principles Study of Photoinduced Water-Splitting on Fe2O3

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

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

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

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

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

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

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

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

Examining architectures of photoanode–photovoltaic tandem cells for solar water splitting

(2009) Jeremie Brillet et al.   JOURNAL OF MATERIALS RESEARCH

A LEED analysis of the clean surfaces of α-Fe2O3(0001) and α-Cr2O3(0001) bulk single crystals

(2009) Maike Lübbe et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

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

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

Oxidation and Photo-Oxidation of Water on TiO2 Surface

(2008) Á. Valdés et al.   Journal of Physical Chemistry C