Modeling Methyl Chloride Photo Oxidation by Oxygen Species on TiO2(110)

Molecular-Level Insights into Photocatalysis from Scanning Probe Microscopy Studies on TiO2(110)

(2013) Michael A. Henderson et al.   CHEMICAL REVIEWS

Hole Scavenging by Organic Adsorbates on the TiO2 Surface: A DFT Model Study

(2013) Cristiana Di Valentin et al.   Journal of Physical Chemistry Letters

A DFT +Ustudy of (Rh, Nb)-codoped rutile TiO2

(2013) Kulbir Kaur Ghuman et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Role of Water in Methanol Photochemistry on Rutile TiO2(110)

(2012) Mingmin Shen et al.   Journal of Physical Chemistry C

Location of Trapped Hole on Rutile-TiO2(110) Surface and Its Role in Water Oxidation

(2012) Yongfei Ji et al.   Journal of Physical Chemistry C

Sequential Photo-oxidation of Methanol to Methyl Formate on TiO2(110)

(2012) Katherine R. Phillips et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation

(2012) Jess Wellendorff et al.   PHYSICAL REVIEW B

Inhibitive Influence of Oxygen Vacancies for Photoactivity onTiO2(110)

(2012) Zhi-Tao Wang et al.   PHYSICAL REVIEW LETTERS

Highly Efficient and Selective Hydrogenation of Nitroaromatics on Photoactivated Rutile Titanium Dioxide

(2012) Yasuhiro Shiraishi et al.   ACS Catalysis

Electronic hole localization in rutile and anatase TiO2 – Self-interaction correction in Δ-SCF DFT

(2011) Paweł Zawadzki et al.   CHEMICAL PHYSICS LETTERS

First principles theoretical study of the hole-assisted conversion of CO to CO2 on the anatase TiO2(101) surface

(2011) Raina Wanbayor et al.   JOURNAL OF CHEMICAL PHYSICS

Adsorption properties versus oxidation states of rutile TiO2(110)

(2011) Umberto Martinez et al.   JOURNAL OF CHEMICAL PHYSICS

Bulk and Surface Polarons in Photoexcited Anatase TiO2

(2011) Cristiana Di Valentin et al.   Journal of Physical Chemistry Letters

Charge compensation in trivalent cation doped bulk rutile TiO2

(2011) Anna Iwaszuk et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Ethanol photo-oxidation on a rutile TiO2(110) single crystal surface

(2011) A. M. Nadeem et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

DFT+U study of defects in bulk rutile TiO2

(2010) Jess Stausholm-Møller et al.   JOURNAL OF CHEMICAL PHYSICS

Photoinduced Dissociation of O2 on Rutile TiO2(110)

(2010) Nikolay G. Petrik et al.   Journal of Physical Chemistry Letters

Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

(2010) J Enkovaara et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Observation and Destruction of an Elusive Adsorbate with STM:O2/TiO2(110)

(2010) Philipp Scheiber et al.   PHYSICAL REVIEW LETTERS

Dissociative and molecular oxygen chemisorption channels on reduced rutile TiO2(110): An STM and TPD study

(2010) Estephania Lira et al.   SURFACE SCIENCE

Observation of All the Intermediate Steps of a Chemical Reaction on an Oxide Surface by Scanning Tunneling Microscopy

(2009) Jesper Matthiesen et al.   ACS Nano

Intrinsic Hole Migration Rates in TiO2 from Density Functional Theory

(2009) N. Aaron Deskins et al.   Journal of Physical Chemistry C

Enhanced adsorption energy of Au1 and O2 on the stoichiometric TiO2(110) surface by coadsorption with other molecules

(2008) Steeve Chrétien et al.   JOURNAL OF CHEMICAL PHYSICS

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

(2008) S. Wendt et al.   SCIENCE

TiO2 photocatalysis and related surface phenomena

(2008) A FUJISHIMA et al.   SURFACE SCIENCE REPORTS