CO oxidation on h-BN supported Au atom

Catalytic Activity of Au and Au2 on the h-BN Surface: Adsorption and Activation of O2

(2012) Min Gao et al.   Journal of Physical Chemistry C

A Structural and Stability Evaluation of Au12 from an Isolated Cluster to the Deposited Material

(2012) Dina F. Mukhamedzyanova et al.   Journal of Physical Chemistry C

Multiscale Modeling Reveals Poisoning Mechanisms of MgO-Supported Au Clusters in CO Oxidation

(2012) Michail Stamatakis et al.   NANO LETTERS

Advances in 2D boron nitride nanostructures: nanosheets, nanoribbons, nanomeshes, and hybrids with graphene

(2012) Yi Lin et al.   Nanoscale

Adsorption of small gold clusters on theh-BN/Rh(111) nanomesh

(2012) Hans Peter Koch et al.   PHYSICAL REVIEW B

Low-Temperature Catalytic H2 Oxidation over Au Nanoparticle/TiO2 Dual Perimeter Sites

(2011) Isabel Xiaoye Green et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The effect of the metal to non-metal transition on the activity of gold catalysts

(2011) Geoffrey C. Bond   FARADAY DISCUSSIONS

A computational investigation of H2 adsorption and dissociation on Au nanoparticles supported on TiO2 surface

(2011) Andrey Lyalin et al.   FARADAY DISCUSSIONS

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

(2011) Masatake Haruta   FARADAY DISCUSSIONS

Formulation of mechanisms for gold-catalysed reactions

(2011) Geoffrey Bond et al.   GOLD BULLETIN

Theoretical study of vacancies and adatoms in white graphene

(2011) A. A. Kuzubov et al.   JETP LETTERS

Catalytically highly active top gold atom on palladium nanocluster

(2011) Haijun Zhang et al.   NATURE MATERIALS

Fragmentation pathways of nanofractal structures on surfaces

(2011) Veronika V. Dick et al.   PHYSICAL REVIEW B

Role of the Support Effects on the Catalytic Activity of Gold Clusters: A Density Functional Theory Study

(2011) Min Gao et al.   Catalysts

SBA-15-supported gold nanoparticles decorated by CeO2: Structural characteristics and CO oxidation activity

(2010) L. Escamilla-Perea et al.   APPLIED CATALYSIS A-GENERAL

Oxygen and CO Adsorption on Au/SiO2Catalysts Prepared by Magnetron Sputtering: The Role of Oxygen Storage

(2010) Xiaolin Zheng et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Adsorption of Ethylene on Neutral, Anionic, and Cationic Gold Clusters

(2010) Andrey Lyalin et al.   Journal of Physical Chemistry C

Reactant-Promoted Oxygen Dissociation on Gold Clusters

(2010) Andrey Lyalin et al.   Journal of Physical Chemistry Letters

Ab initiostudy ofh−BNnanomeshes on Ru(001), Rh(111), and Pt(111)

(2010) Robert Laskowski et al.   PHYSICAL REVIEW B

Hydrogen Dissociation by Gold Clusters

(2009) Tadahiro Fujitani et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Theoretical investigation of the interaction between oxygen molecules and small Au clusters using approximately spin-projected geometry optimization (AP-opt) method

(2009) M. Okumura et al.   CATALYSIS TODAY

Theoretical Study of the CO Oxidation Mediated by Au3+, Au3, and Au3−: Mechanism and Charge State Effect of Gold on Its Catalytic Activity

(2009) Fang Wang et al.   Journal of Physical Chemistry C

Cooperative Adsorption of O2 and C2H4 on Small Gold Clusters

(2009) Andrey Lyalin et al.   Journal of Physical Chemistry C

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Theory and simulation in heterogeneous gold catalysis

(2008) Rudy Coquet et al.   CHEMICAL SOCIETY REVIEWS

Droplet model of an atomic cluster at a solid surface

(2008) V. V. Semenikhina et al.   JOURNAL OF EXPERIMENTAL AND THEORETICAL PHYSICS

Influence of Charge State on the Mechanism of CO Oxidation on Gold Clusters

(2008) Christian Bürgel et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Selective oxidation with dioxygen by gold nanoparticle catalysts derived from 55-atom clusters

(2008) Mark Turner et al.   NATURE

Bonding of hexagonal BN to transition metal surfaces: Anab initiodensity-functional theory study

(2008) Robert Laskowski et al.   PHYSICAL REVIEW B