CO Oxidation on Pt(111): An Ab Initio Density Functional Theory Study
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Efficient Dual-Site Carbon Monoxide Electro-Catalysts via Interfacial Nano-EngineeringHeterogeneous catalysis: enigmas, illusions, challenges, realities, and emergent strategies of designGraphene cover-promoted metal-catalyzed reactions.Room-temperature carbon monoxide oxidation by oxygen over Pt/Al2O3 mediated by reactive platinum carbonatesOperando NMR spectroscopic analysis of proton transfer in heterogeneous photocatalytic reactions.Turning indium oxide into a superior electrocatalyst: deterministic heteroatoms.Methanol electro-oxidation on platinum modified tungsten carbides in direct methanol fuel cells: a DFT study.A minimum-reaction-flux solution to master-equation models of protein folding.Identifying the trend of reactivity for sp2 materials: an electron delocalization model from first principles calculations.Mn ion dissolution from MnS: a density functional theory study.Single layer of polymeric cobalt phthalocyanine: promising low-cost and high-activity nanocatalysts for CO oxidation.Significant enhancement of the selectivity of propylene epoxidation for propylene oxide: a molecular oxygen mechanism.Theoretical insights into how the first C-C bond forms in the methanol-to-olefin process catalysed by HSAPO-34.A DFT + U study of acetylene selective hydrogenation over anatase supported PdaAgb (a + b = 4) cluster.A computational study of CO oxidation reactions on metal impurities in graphene divacancies.CO oxidation on Pt nanoclusters, size and coverage effects: a density functional theory study.Stochastic surface walking reaction sampling for resolving heterogeneous catalytic reaction network: A revisit to the mechanism of water-gas shift reaction on Cu.Theoretical study on geometric, electronic and catalytic performances of Fe dopant pairs in graphene.Gaseous Nanocarving-Mediated Carbon Framework with Spontaneous Metal Assembly for Structure-Tunable Metal/Carbon Nanofibers.A rational catalyst design of CO oxidation using the bonding contribution equation.Desorption dynamics of CO2 from formate decomposition on Cu(111).Reactivity of 4Fe+(CO)n=0-2 + O2: oxidation of CO by O2 at an isolated metal atom.An insight into methanol oxidation mechanisms on RuO2(100) under an aqueous environment by DFT calculations.Insights into the mechanism of electrochemical ozone production via water splitting on the Ni and Sb doped SnO2 catalyst.Surface restructuring of Cu-based single-atom alloy catalysts under reaction conditions: the essential role of adsorbates.Reducing the Cost and Preserving the Reactivity in Noble-Metal-Based Catalysts: Oxidation of CO by Pt and Al-Pt Alloy Clusters Supported on Graphene.Ab initio molecular dynamics for molecules with variable numbers of electrons.Slab model studies of water adsorption and decomposition on clean and X- (X = C, N and O) contaminated Pd(111) surfaces.Insight into the solvent effect: a density functional theory study of cisplatin hydrolysis.Polarization-driven catalysis via ferroelectric oxide surfaces.Kinetics of CO oxidation on high-concentration phases of atomic oxygen on Pt(111).An understanding and implications of the coverage of surface free sites in heterogeneous catalysis.Understanding complete oxidation of methane on spinel oxides at a molecular level.The effect of defects on the catalytic activity of single Au atom supported carbon nanotubes and reaction mechanism for CO oxidation.A promising single atom catalyst for CO oxidation: Ag on boron vacancies of h-BN sheets.Geometric stability and reaction activity of Pt clusters adsorbed graphene substrates for catalytic CO oxidation.Significance of β-dehydrogenation in ethanol electro-oxidation on platinum doped with Ru, Rh, Pd, Os and Ir.The origin of high activity but low CO(2) selectivity on binary PtSn in the direct ethanol fuel cell.Possibility of designing catalysts beyond the traditional volcano curve: a theoretical framework for multi-phase surfaces.A first-principles study of NO adsorption and oxidation on Au(111) surface
P2860
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P2860
CO Oxidation on Pt(111): An Ab Initio Density Functional Theory Study
description
1998 nî lūn-bûn
@nan
1998 թուականի Ապրիլին հրատարակուած գիտական յօդուած
@hyw
1998 թվականի ապրիլին հրատարակված գիտական հոդված
@hy
1998年の論文
@ja
1998年論文
@yue
1998年論文
@zh-hant
1998年論文
@zh-hk
1998年論文
@zh-mo
1998年論文
@zh-tw
1998年论文
@wuu
name
CO Oxidation on Pt(111): An Ab Initio Density Functional Theory Study
@ast
CO Oxidation on Pt(111): An Ab Initio Density Functional Theory Study
@en
CO Oxidation on Pt(111): An Ab Initio Density Functional Theory Study
@en-gb
type
label
CO Oxidation on Pt(111): An Ab Initio Density Functional Theory Study
@ast
CO Oxidation on Pt(111): An Ab Initio Density Functional Theory Study
@en
CO Oxidation on Pt(111): An Ab Initio Density Functional Theory Study
@en-gb
prefLabel
CO Oxidation on Pt(111): An Ab Initio Density Functional Theory Study
@ast
CO Oxidation on Pt(111): An Ab Initio Density Functional Theory Study
@en
CO Oxidation on Pt(111): An Ab Initio Density Functional Theory Study
@en-gb
P2093
P2860
P3181
P1476
CO Oxidation on Pt(111): An Ab Initio Density Functional Theory Study
@en
P2093
Jürg Hutter
Pier Luigi Silvestrelli
Thierry Deutsch
P2860
P304
P3181
P356
10.1103/PHYSREVLETT.80.3650
P407
P577
1998-04-01T00:00:00Z