Origin of the Adsorption-State-Dependent Photoactivity of Methanol on TiO2(110)

Theoretical study of kinetics of proton coupled electron transfer in photocatalysis

(2020) Yvelin Giret et al.   JOURNAL OF CHEMICAL PHYSICS

Active Species in Photocatalytic Reactions of Methanol on TiO2(110) Identified by Surface Sum Frequency Generation Vibrational Spectroscopy

(2019) Xingxing Peng et al.   Journal of Physical Chemistry C

Fundamentals of TiO2 Photocatalysis: Concepts, Mechanisms, and Challenges

(2019) Qing Guo et al.   ADVANCED MATERIALS

Single Molecule Photocatalysis on TiO2 Surfaces

(2019) Qing Guo et al.   CHEMICAL REVIEWS

Elementary Chemical Reactions in Surface Photocatalysis

(2018) Qing Guo et al.   Annual Review of Physical Chemistry

Visualization of Water-Induced Surface Segregation of Polarons on Rutile TiO2(110)

(2018) Chi M. Yim et al.   Journal of Physical Chemistry Letters

Role of Pt Loading in the Photocatalytic Chemistry of Methanol on Rutile TiO2(110)

(2018) Qunqing Hao et al.   ACS Catalysis

Identifying the Site-Dependent Photoactivity of Anatase TiO2(001)-(1×4) Surface

(2017) Zhengwang Cheng et al.   Journal of Physical Chemistry C

Identifying the Role of Photogenerated Holes in Photocatalytic Methanol Dissociation on Rutile TiO2(110)

(2017) Jiawei Zhang et al.   ACS Catalysis

Methanol on Anatase TiO2 (101): Mechanistic Insights into Photocatalysis

(2017) Martin Setvin et al.   ACS Catalysis

Elementary photocatalytic chemistry on TiO2 surfaces

(2016) Qing Guo et al.   CHEMICAL SOCIETY REVIEWS

Temperature- and Coverage-Dependent Kinetics of Photocatalytic Reaction of Methanol on TiO2 (110)-(1 × 1) Surface

(2016) Hao Feng et al.   Journal of Physical Chemistry C

Highly Efficient Water Dissociation on Anatase TiO2(101)

(2016) Zhenhua Geng et al.   Journal of Physical Chemistry C

Valence and Conduction Band Densities of States of Metal Halide Perovskites: A Combined Experimental–Theoretical Study

(2016) James Endres et al.   Journal of Physical Chemistry Letters

Effect of the Hydrogen Bond in Photoinduced Water Dissociation: A Double-Edged Sword

(2016) Wenshao Yang et al.   Journal of Physical Chemistry Letters

Ultrafast Dynamics of Photongenerated Holes at a CH3OH/TiO2 Rutile Interface

(2016) Weibin Chu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Unravelling Site-Specific Photo-Reactions of Ethanol on Rutile TiO2(110)

(2016) Jonas Ø. Hansen et al.   Scientific Reports

Reductive Hydrogenation of the Aqueous Rutile TiO 2 (110) Surface

(2015) Jun Cheng et al.   ELECTROCHIMICA ACTA

In Situ Studies on the Dissociation and Photocatalytic Reactions of CH3OH on TiO2 Thin Film by Sum Frequency Generation Vibrational Spectroscopy

(2015) Ran-ran Feng et al.   Journal of Physical Chemistry C

Probing the transition state region in catalytic CO oxidation on Ru

(2015) H. Öström et al.   SCIENCE

Quasiparticle Level Alignment for Photocatalytic Interfaces

(2014) Annapaoala Migani et al.   Journal of Chemical Theory and Computation

Identifying Trapped Electronic Holes at the Aqueous TiO2 Interface

(2014) Jun Cheng et al.   Journal of Physical Chemistry C

Coverage dependence of the level alignment for methanol on TiO2(110)

(2014) Annapaola Migani et al.   Computational and Theoretical Chemistry

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

Level Alignment of a Prototypical Photocatalytic System: Methanol on TiO2(110)

(2013) Annapaola Migani et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Photocatalytic Cross-Coupling of Methanol and Formaldehyde on a Rutile TiO2(110) Surface

(2013) Qing Yuan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Real-Time Observation of Surface Bond Breaking with an X-ray Laser

(2013) M. Dell'Angela et al.   SCIENCE

cp2k: atomistic simulations of condensed matter systems

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

Hole Localization and Thermochemistry of Oxidative Dehydrogenation of Aqueous Rutile TiO2(110)

(2012) Jun Cheng et al.   ChemCatChem

Surface photochemistry probed by two-photon photoemission spectroscopy

(2012) Chuanyao Zhou et al.   Energy & Environmental Science

Stepwise Photocatalytic Dissociation of Methanol and Water on TiO2(110)

(2012) Qing Guo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

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

Inhibitive Influence of Oxygen Vacancies for Photoactivity onTiO2(110)

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

Identification of the Active Species in Photochemical Hole Scavenging Reactions of Methanol on TiO2

(2011) Mingmin Shen et al.   Journal of Physical Chemistry Letters

Photoluminescence of TiO2: Effect of UV Light and Adsorbed Molecules on Surface Band Structure

(2011) Ana Stevanovic et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Direct Evidence for Ethanol Dissociation on RutileTiO2(110)

(2011) J. Ø. Hansen et al.   PHYSICAL REVIEW LETTERS

Thermal behaviour of the O2/TiO2 (110)–(1 × 2) surface

(2011) J. Abad et al.   VACUUM

Effect of defects on photocatalytic dissociation of methanol on TiO2(110)

(2011) Chuanyao Zhou et al.   Chemical Science

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

Auxiliary Density Matrix Methods for Hartree−Fock Exchange Calculations

(2010) Manuel Guidon et al.   Journal of Chemical Theory and Computation

Direct Observation of Surface-Mediated Electron−Hole Pair Recombination in TiO2(110)

(2010) Zhen Zhang et al.   Journal of Physical Chemistry C

Effect of Adsorbed Donor and Acceptor Molecules on Electron Stimulated Desorption: O2/TiO2(110)

(2010) Zhen Zhang et al.   Journal of Physical Chemistry Letters

Electron-Mediated CO Oxidation on the TiO2(110) Surface during Electronic Excitation

(2010) Zhen Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Aligning electronic energy levels at theTiO2/H2Ointerface

(2010) Jun Cheng et al.   PHYSICAL REVIEW B

Hot-Electron Transfer from Semiconductor Nanocrystals

(2010) W. A. Tisdale et al.   SCIENCE

Site-specific photocatalytic splitting of methanol on TiO2(110)

(2010) Chuanyao Zhou et al.   Chemical Science

Robust Periodic Hartree−Fock Exchange for Large-Scale Simulations Using Gaussian Basis Sets

(2009) Manuel Guidon et al.   Journal of Chemical Theory and Computation

Theoretical study of the molecular and electronic structure of methanol on aTiO2(110)surface

(2009) Jin Zhao et al.   PHYSICAL REVIEW B

Ab initio molecular dynamics using hybrid density functionals

(2008) Manuel Guidon et al.   JOURNAL OF CHEMICAL PHYSICS

Anatase shows its reactive side

(2008) Annabella Selloni   NATURE MATERIALS

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

(2008) S. Wendt et al.   SCIENCE