A DFT+U study about agglomeration of Au atoms on reduced surface of rutile TiO2 (110)

H2O Dissociation at the Perimeter Interface between Gold Nanoparticles and TiO2 Is Crucial for Oxidation of CO

(2020) Tadahiro Fujitani et al.   ACS Catalysis

Gold cluster coverage effect on H2 production over rutile TiO2(110)

(2019) Khabiboulakh Katsiev et al.   ACS Catalysis

Water adsorption and dissociation on gold catalysts supported on anatase-TiO2(101)

(2019) H. Valdés et al.   APPLIED SURFACE SCIENCE

Diffusion Kinetics of Gold and Copper Atoms on Pristine and Reduced Rutile TiO2 (110) Surfaces

(2018) Mathilde Iachella et al.   Journal of Physical Chemistry C

Influence of Relativistic Effects on Bonding Modes in M(II) Dinuclear Complexes (M = Au, Ag, and Cu)

(2017) Paul Jerabek et al.   INORGANIC CHEMISTRY

Extension of the D3 dispersion coefficient model

(2017) Eike Caldeweyher et al.   JOURNAL OF CHEMICAL PHYSICS

Advances in Gold Catalysis and Understanding the Catalytic Mechanism

(2016) Tamao Ishida et al.   CHEMICAL RECORD

Adsorption of Noble-Gas Atoms on the TiO2(110) Surface: An Ab Initio-Assisted Study with van der Waals-Corrected DFT

(2016) A. A. Tamijani et al.   Journal of Physical Chemistry C

Thermally stable single-atom platinum-on-ceria catalysts via atom trapping

(2016) J. Jones et al.   SCIENCE

Surface chemistry of Au/TiO2: Thermally and photolytically activated reactions

(2016) Dimitar A. Panayotov et al.   SURFACE SCIENCE REPORTS

Density Functional Theory Study of Active Oxygen at the Perimeter of Au/TiO2 Catalysts

(2015) Hiroaki Koga et al.   Journal of Physical Chemistry C

van der Waals forces in density functional theory: a review of the vdW-DF method

(2015) Kristian Berland et al.   REPORTS ON PROGRESS IN PHYSICS

Activation of Molecular Oxygen and the Nature of the Active Oxygen Species for CO Oxidation on Oxide Supported Au Catalysts

(2014) D. Widmann et al.   ACCOUNTS OF CHEMICAL RESEARCH

First-principlesDFT+GWstudy of oxygen vacancies in rutileTiO2

(2014) Andrei Malashevich et al.   PHYSICAL REVIEW B

Single-Atom Catalysts: A New Frontier in Heterogeneous Catalysis

(2013) Xiao-Feng Yang et al.   ACCOUNTS OF CHEMICAL RESEARCH

Mechanistic insights into the partial oxidation of acetic acid by O2 at the dual perimeter sites of a Au/TiO2 catalyst

(2013) Isabel Xiaoye Green et al.   FARADAY DISCUSSIONS

Transition metal atoms pathways on rutile TiO2 (110) surface: Distribution of Ti3+ states and evidence of enhanced peripheral charge accumulation

(2013) Yongqing Cai et al.   JOURNAL OF CHEMICAL PHYSICS

Remarkable Performance of Ir1/FeOx Single-Atom Catalyst in Water Gas Shift Reaction

(2013) Jian Lin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Nanocrystalline Ag, and Au–Ag alloys supported on titania for CO oxidation reaction

(2013) Xim Bokhimi et al.   MATERIALS CHEMISTRY AND PHYSICS

Growth of Ag and Au Nanoparticles on Reduced and Oxidized Rutile TiO2(110) Surfaces

(2013) Estephania Lira et al.   TOPICS IN CATALYSIS

Mechanism and Active Sites of the Oxidation of CO over Au/TiO2

(2011) Tadahiro Fujitani et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Spiers Memorial Lecture : Role of perimeter interfaces in catalysis by gold nanoparticles

(2011) Masatake Haruta   FARADAY DISCUSSIONS

Gold Cluster Diffusion Kinetics on Stoichiometric and Reduced Surfaces of Rutile TiO2(110)

(2011) Nir Goldman et al.   Journal of Physical Chemistry C

Single-atom catalysis of CO oxidation using Pt1/FeO x

(2011) Botao Qiao et al.   Nature Chemistry

Ideal, defective, and gold-promoted rutile TiO2(110) surfaces interacting with CO, H2, and H2O: Structures, energies, thermodynamics, and dynamics from PBE+U

(2011) Matteo Farnesi Camellone et al.   PHYSICAL REVIEW B

Stability of gold nanostructures on rutile TiO2(110) surface

(2011) T. Pabisiak et al.   SURFACE 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

Direct Visualization of Water-Induced Relocation of Au Atoms from Oxygen Vacancies on a TiO2(110) Surface

(2010) Xiao Tong et al.   Journal of Physical Chemistry C

Enhanced photocatalysis, colloidal stability and cytotoxicity of synchrotron X-ray synthesized Au/TiO2 nanoparticles

(2009) Chi-Jen Liu et al.   MATERIALS CHEMISTRY AND PHYSICS