About: Catalytic Role of Metal Oxides in Gold-Based Catalysts: A First Principles Study of CO Oxidation onTiO2Supported Au

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scientific article published in Physical Review Letters

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rdf:type	Item
description	artículu científicu (ast) wetenschappelijk artikel (nl) наукова стаття, опублікована в грудні 2003 (uk) im Dezember 2003 veröffentlichter wissenschaftlicher Artikel (de) article publié dans la revue scientifique Physical Review Letters (fr) scientific article published in Physical Review Letters (en)
publication date	wds:Q57963640-3CE34D5D-9FD9-49C4-82AB-1521EE78382F
publication date	2003-12-23 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q57963640-227B843B-5CF4-494B-B1FF-1E1A5C16A0FC
language of work or name	English
cites work	wds:Q57963640-187DED0A-011E-47A3-9165-6865D203FA9A wds:Q57963640-53F7686D-762F-4588-846A-D42DA1BE5DF2 wds:Q57963640-555C95E3-AD3B-4E9A-93FE-0DDCC3150776 wds:Q57963640-9F54B916-47C6-4FBE-B5BD-3369D585FD90 wds:Q57963640-C944D706-3D60-48B7-A4B5-DA8B3BA6D910 wds:Q57963640-DA0D9F3A-6555-42B5-96F6-6569015EE3EA
cites work	Generalized Gradient Approximation Made Simple Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients Onset of catalytic activity of gold clusters on titania with the appearance of nonmetallic properties The SIESTA method forab initioorder-Nmaterials simulation Coadsorption of CO and O2on Selected Gold Clusters: Evidence for Efficient Room-Temperature CO2Generation Why gold is the noblest of all the metals
author name string	wds:Q57963640-1C1D0829-0188-43AB-9B15-297439240172 wds:Q57963640-29792052-F2B0-4A09-8240-363A668CE14B
author name string	P Hu Xue-Qing Gong
rdfs:label	Catalytic Role of Metal Oxides in Gold-Based Catalysts: A First Principles Study of CO Oxidation onTiO2Supported Au (en) Catalytic Role of Metal Oxides in Gold-Based Catalysts: A First Principles Study of CO Oxidation onTiO2Supported Au (nl)
skos:prefLabel	Catalytic Role of Metal Oxides in Gold-Based Catalysts: A First Principles Study of CO Oxidation onTiO2Supported Au (en) Catalytic Role of Metal Oxides in Gold-Based Catalysts: A First Principles Study of CO Oxidation onTiO2Supported Au (nl)
name	Catalytic Role of Metal Oxides in Gold-Based Catalysts: A First Principles Study of CO Oxidation onTiO2Supported Au (en) Catalytic Role of Metal Oxides in Gold-Based Catalysts: A First Principles Study of CO Oxidation onTiO2Supported Au (nl)
author	wds:Q57963640-0E3A0D15-84EC-4DAE-A491-3E9C82A079E9 wds:Q57963640-47537503-E5FA-41FE-BA5C-B35955D4AC1C wds:Q57963640-D5010FAA-39E3-40BC-9F15-FDA84B179491
author	Zhipan Liu Jorge Kohanoff Cristián Gabriel Sánchez
title	wds:Q57963640-DE22555B-D021-428C-A91C-51F3CE4F3DB6
title	Catalytic role of metal oxides in gold-based catalysts: a first principles study of CO oxidation on TiO2 supported Au (en)
page(s)	wds:Q57963640-2158C28B-0637-4026-BFFB-601F9AF329D4
page(s)	266102
instance of	wds:Q57963640-441DE5D4-4500-450F-B0CF-8B43D5CFE20F
instance of	scholarly article
PubMed ID	wds:Q57963640-BB1FC2B8-815E-4CA0-BD49-97B7749230FB
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/14754070
PubMed ID	14754070
published in	wds:Q57963640-3F63BC27-FD8A-4384-99E4-311B74F842CC
published in	Physical Review Letters
issue	wds:Q57963640-8A74A20F-6450-476A-90FE-B52D6B178410
volume	wds:Q57963640-144D2AA1-13F4-429C-8425-161FE5F8D3D1
issue	26 Pt 1
volume	91
DOI	wds:Q57963640-8301DBAA-353C-44A2-B639-0D8FAC7A6E76
DOI	http://dx.doi.org/10.1103/PHYSREVLETT.91.266102
DOI	10.1103/PHYSREVLETT.91.266102
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q57963640
is cites work of	Gas sensitivity and sensing mechanism studies on Au-doped TiO₂ nanotube arrays for detecting SF₆ decomposed components High surface area crystalline titanium dioxide: potential and limits in electrochemical energy storage and catalysis CO Oxidation Promoted by the Gold Dimer in Au2 VO3 (-) and Au2 VO4 (-) Clusters O2 evolution on a clean partially reduced rutile TiO2(110) surface and on the same surface precovered with Au1 and Au2: the importance of spin conservation Nitrogen-doped C60 as a robust catalyst for CO oxidation Nitrogen-doped carbon nanotube as a potential metal-free catalyst for CO oxidation Recent Progress in Syntheses and Applications of Dumbbell-like Nanoparticles Planar Au/TiO2 model catalysts: fabrication, characterization and catalytic activity Recent advances in the synthesis and application of photocatalytic metal–metal oxide core–shell nanoparticles for environmental remediation and their recycling process Cluster size effects on CO oxidation activity, adsorbate affinity, and temporal behavior of model Au(n)/TiO2 catalysts. Insight into the solvent effect: a density functional theory study of cisplatin hydrolysis. Systematic study of Au6 to Au12 gold clusters on MgO(100) F centers using density-functional theory. IR spectroscopic investigations of chemical and photochemical reactions on metal oxides: bridging the materials gap. Model studies on CO oxidation catalyst systems: titania and gold nanoparticles A Linear Scaling Relation for CO Oxidation on CeO2-Supported Pd. Single layer of polymeric cobalt phthalocyanine: promising low-cost and high-activity nanocatalysts for CO oxidation Vibrational and electron paramagnetic resonance properties of free and MgO supported AuCO complexes The Role of Interfaces in Heterostructures CO Oxidation on Au Nanoparticles Supported on ZrO2: Role of Metal/Oxide Interface and Oxide Reducibility Endohedrally doped gold nanocages: efficient catalysts for O2 activation and CO oxidation. A computational study of CO oxidation reactions on metal impurities in graphene divacancies. Adsorption, diffusion and desorption of chlorine on and from rutile TiO2{110}: a theoretical investigation A theoretical study of O2 activation by the Au7-cluster on Mg(OH)2: roles of surface hydroxyls and hydroxyl defects Density functional theory study on the metal-support interaction between a Au9 cluster and an anatase TiO2(001) surface. Identifying the trend of reactivity for sp2 materials: an electron delocalization model from first principles calculations. First-principles studies for CO and O2 on gold nanocluster Surface chemistry of group IB metals and related oxides. An understanding and implications of the coverage of surface free sites in heterogeneous catalysis. Light-harvesting function through one-by-one electron and hole transfer in a methane-lithium system. Optimum Particle Size for Gold-Catalyzed CO Oxidation. Electron-beam-induced growth of TiO(2) nanostructures. Effect of the components' interface on the synthesis of methanol over Cu/ZnO from CO2/H2: a microkinetic analysis based on DFT + U calculations Theoretical study on geometric, electronic and catalytic performances of Fe dopant pairs in graphene. Nucleobases tagged to gold nanoclusters cause a mechanistic crossover in the oxidation of CO. Advances in Gold Catalysis and Understanding the Catalytic Mechanism. Multiple CO Oxidation Promoted by Au2 Dimers in Au2 TiO4 (-) Cluster Anions Quantum-size effect on the electronic and optical properties of hybrid TiO₂/Au clusters. Cascade Conversion of Cellobiose to Gluconic Acid: The Large Impact of the Small Modification of Electronic Interaction on the Performance of Au/TiO2 Bifunctional Catalysts Simple but Efficient Method for Inhibiting Sintering and Aggregation of Catalytic Pt Nanoclusters on Metal-Oxide Supports. Interfacial oxygen under TiO2 supported Au clusters revealed by a genetic algorithm search Understanding the catalytic activity of nanoporous gold: Role of twinning in fcc lattice. On the Interaction between Superatom Al12Be and DNA Nucleobases/Base Pairs: Bonding Nature and Potential Applications in O2 Activation and CO Oxidation

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