Photo-active and dynamical properties of hematite (Fe2O3)–water interfaces: an experimental and theoretical study

Dynamical properties of physically adsorbed water molecules at the TiO2 rutile-(110) surface

(2013) Niall J. English   CHEMICAL PHYSICS LETTERS

The influence of Ti- and Si-doping on the structure, morphology and photo-response properties of α-Fe2O3 for efficient water-splitting: Insights from experiment and first-principles calculations

(2013) Mahfujur Rahman et al.   CHEMICAL PHYSICS LETTERS

On the absolute thermodynamics of water from computer simulations: A comparison of first-principles molecular dynamics, reactive and empirical force fields

(2013) Tod A. Pascal et al.   JOURNAL OF CHEMICAL PHYSICS

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

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

Spatial distribution of adsorbed water layers at the TiO2 rutile and anatase interfaces

(2012) Ritwik S. Kavathekar et al.   CHEMICAL PHYSICS LETTERS

Effect of Doping (C or N) and Co-Doping (C+N) on the Photoactive Properties of Magnetron Sputtered Titania Coatings for the Application of Solar Water-Splitting

(2012) M. Rahman et al.   JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY

DFT-GGA and DFT+U Simulations of Thin Water Layers on Reduced TiO2 Anatase

(2012) Antonio Tilocca et al.   Journal of Physical Chemistry C

Hydrogen bond dynamical properties of adsorbed liquid water monolayers with various TiO2interfaces

(2012) Niall J. English et al.   MOLECULAR PHYSICS

Highly efficient water splitting by a dual-absorber tandem cell

(2012) Jeremie Brillet et al.   Nature Photonics

Reply to “Comment on `Structure and dynamics of liquid water on rutile TiO2(110)' ”

(2012) Li-Min Liu et al.   PHYSICAL REVIEW B

Comment on “Structure and dynamics of liquid water on rutile TiO2(110)”

(2012) David J. Wesolowski et al.   PHYSICAL REVIEW B

Influence of the Physical, Structural and Chemical Properties on the Photoresponse Property of Magnetron Sputtered TiO2 for the Application of Water Splitting

(2011) M. Rahman et al.   JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY

Study of translational, librational and intra-molecular motion of adsorbed liquid water monolayers at various TiO2 interfaces

(2011) Ritwik S. Kavathekar et al.   MOLECULAR PHYSICS

Molecular dynamics study of water in contact with the TiO2rutile-110, 100, 101, 001 and anatase-101, 001 surface

(2011) Ritwik S. Kavathekar et al.   MOLECULAR PHYSICS

Structure of the RutileTiO2(011)Surface in an Aqueous Environment

(2011) U. Aschauer et al.   PHYSICAL REVIEW LETTERS

Wireless Solar Water Splitting Using Silicon-Based Semiconductors and Earth-Abundant Catalysts

(2011) S. Y. Reece et al.   SCIENCE

Acidity of the Aqueous Rutile TiO2(110) Surface from Density Functional Theory Based Molecular Dynamics

(2010) Jun Cheng et al.   Journal of Chemical Theory and Computation

Titania-water interactions: a review of theoretical studies

(2010) Chenghua Sun et al.   JOURNAL OF MATERIALS CHEMISTRY

Hydroxide Ions at the Water/Anatase TiO2(101) Interface: Structure and Electronic States from First Principles Molecular Dynamics

(2010) Hongzhi Cheng et al.   LANGMUIR

Structure and dynamics of liquid water on rutileTiO2(110)

(2010) Li-Min Liu et al.   PHYSICAL REVIEW B

Improved photoelectrochemical performance of Ti-doped α-Fe2O3 thin films by surface modification with fluoride

(2009) Yong-Sheng Hu et al.   CHEMICAL COMMUNICATIONS

NiFe-oxide electrocatalysts for the oxygen evolution reaction on Ti doped hematite photoelectrodes

(2009) Alan Kleiman-Shwarsctein et al.   ELECTROCHEMISTRY COMMUNICATIONS

Hydrogen generation under sunlight by self ordered TiO2 nanotube arrays

(2009) Zhaoyue Liu et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Influence of Subsurface Defects on the Surface Reactivity of TiO2: Water on Anatase (101)

(2009) Ulrich Aschauer et al.   Journal of Physical Chemistry C

Hydrogen Bonds and Vibrations of Water on (110) Rutile

(2009) Nitin Kumar et al.   Journal of Physical Chemistry C

Pt-Doped α-Fe2O3Thin Films Active for Photoelectrochemical Water Splitting

(2008) Yong-Sheng Hu et al.   CHEMISTRY OF MATERIALS

Periodic density functional theory calculations of bulk and the (010) surface of goethite

(2008) James D Kubicki et al.   GEOCHEMICAL TRANSACTIONS

Short Hydrogen Bonds at the Water/TiO2 (Anatase) Interface

(2008) G. Mattioli et al.   Journal of Physical Chemistry C

Electrodeposition of α-Fe2O3 Doped with Mo or Cr as Photoanodes for Photocatalytic Water Splitting

(2008) Alan Kleiman-Shwarsctein et al.   Journal of Physical Chemistry C

Surface Protonation at the Rutile (110) Interface: Explicit Incorporation of Solvation Structure within the Refined MUSIC Model Framework

(2008) Michael L. Machesky et al.   LANGMUIR