Core-Level Binding Energy Reveals Hydrogen Bonding Configurations of Water Adsorbed on TiO2(110) Surface

Formation of Metastable Water Chains on Anatase TiO2(101)

(2017) Arjun Dahal et al.   Journal of Physical Chemistry C

Energy and fuels from electrochemical interfaces

(2017) Vojislav R. Stamenkovic et al.   NATURE MATERIALS

Modeling Kinetics of Water Adsorption on the Rutile TiO2 (110) Surface: Influence of Exchange-Correlation Functional

(2017) Johan O. Nilsson et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Probing equilibrium of molecular and deprotonated water on TiO2(110)

(2017) Zhi-Tao Wang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Photoelectron Spectroscopy Study of Stoichiometric and Reduced Anatase TiO2(101) Surfaces: The Effect of Subsurface Defects on Water Adsorption at Near-Ambient Pressures

(2015) Mark J. Jackman et al.   Journal of Physical Chemistry C

Photoemission studies of water dissociation on rutile TiO2 (110): Aspects on experimental procedures and the influence of steps

(2014) Lars Erik Walle et al.   APPLIED SURFACE SCIENCE

Structure of a Water Monolayer on the AnataseTiO2(101)Surface

(2014) Christopher E. Patrick et al.   Physical Review Applied

Oxygen Electrochemistry as a Cornerstone for Sustainable Energy Conversion

(2013) Ioannis Katsounaros et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Structure of Clean and Adsorbate-Covered Single-Crystal Rutile TiO2 Surfaces

(2013) Chi Lun Pang et al.   CHEMICAL REVIEWS

A Molecular Mechanism for the Water–Hydroxyl Balance during Wetting of TiO2

(2013) M. Amft et al.   Journal of Physical Chemistry C

Role of Steps in the Dissociative Adsorption of Water on RutileTiO2(110)

(2013) H. H. Kristoffersen et al.   PHYSICAL REVIEW LETTERS

Competing water dissociation channels on rutile TiO2(110)

(2013) L.E. Walle et al.   SURFACE SCIENCE

cp2k: atomistic simulations of condensed matter systems

(2013) Jürg Hutter et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Probing the influence from residual Ti interstitials on water adsorption on TiO2(110)

(2012) L. E. Walle et al.   PHYSICAL REVIEW B

Water does partially dissociate on the perfect TiO2(110) surface: A quantitative structure determination

(2012) D. A. Duncan et al.   PHYSICAL REVIEW B

Autocatalytic Surface Hydroxylation of MgO(100) Terrace Sites Observed under Ambient Conditions

(2011) John T. Newberg et al.   Journal of Physical Chemistry C

First Principles Analysis of H2O Adsorption on the (110) Surfaces of SnO2, TiO2 and Their Solid Solutions

(2011) Konstanze R. Hahn et al.   LANGMUIR

O1score-level shifts at the anatase TiO2(101)/N3 photovoltaic interface: Signature of H-bonded supramolecular assembly

(2011) Christopher E. Patrick et al.   PHYSICAL REVIEW B

Investigation of hydrogen bonds and temperature effects on the water monolayer adsorption on rutile TiO2 (110) by first-principles molecular dynamics simulations

(2011) K. Sebbari et al.   SURFACE SCIENCE

Modeling the noble metal/TiO2 (110) interface with hybrid DFT functionals: A periodic electrostatic embedded cluster model study

(2010) Salai Cheettu Ammal et al.   JOURNAL OF CHEMICAL PHYSICS

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

Experimental evidence for mixed dissociative and molecular adsorption of water on a rutileTiO2(110)surface without oxygen vacancies

(2010) L. E. Walle et al.   PHYSICAL REVIEW B

Structure and dynamics of liquid water on rutileTiO2(110)

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

Thermally-driven processes on rutile TiO2(110)-(1×1): A direct view at the atomic scale

(2010) Zdenek Dohnálek et al.   PROGRESS IN SURFACE SCIENCE

Water as a Catalyst: Imaging Reactions of O2 with Partially and Fully Hydroxylated TiO2(110) Surfaces

(2009) Zhenrong Zhang et al.   Journal of Physical Chemistry C

Composition, structure, and stability of the rutileTiO2(110)surface: Oxygen depletion, hydroxylation, hydrogen migration, and water adsorption

(2009) Piotr M. Kowalski et al.   PHYSICAL REVIEW B

Two Pathways for Water Interaction with Oxygen Adatoms onTiO2(110)

(2009) Y. Du et al.   PHYSICAL REVIEW LETTERS

Formation and Diffusion of Water Dimers on RutileTiO2(110)

(2009) J. Matthiesen et al.   PHYSICAL REVIEW LETTERS

Chemical reactions on rutile TiO2(110)

(2008) Chi Lun Pang et al.   CHEMICAL SOCIETY REVIEWS

The Role of Interstitial Sites in the Ti3d Defect State in the Band Gap of Titania

(2008) S. Wendt et al.   SCIENCE