Density functional theory calculations for the hydrogen evolution reaction in an electrochemical double layer on the Pt(111) electrode.
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Simulation of surface processes.Ab initio molecular dynamics of solvation effects on reactivity at electrified interfaces.Electrocatalysis: theory and experiment at the interface.New concepts and modeling strategies to design and evaluate photo-electro-catalysts based on transition metal oxides.Toward full simulation of the electrochemical oxygen reduction reaction on Pt using first-principles and kinetic calculations.Neural network molecular dynamics simulations of solid-liquid interfaces: water at low-index copper surfaces.Reduced Pd density of states in Pd/SAM/Au junctions: the role of adsorbed hydrogen atoms.Highly exposed {001} facets of titanium dioxide modified with reduced graphene oxide for dopamine sensing.A theoretical evaluation of possible transition metal electro-catalysts for N2 reduction.Computational screening of functionalized zinc porphyrins for dye sensitized solar cells.Hydrogen adsorption on doped MoS2 nanostructures.Quasi-Emulsion Confined Synthesis of Edge-Rich Ultrathin MoS2 Nanosheets/Graphene Hybrid for Enhanced Hydrogen Evolution.The Nature of Hydrated Protons on Platinum Surfaces.Mechanistic studies of pyridinium electrochemistry: alternative chemical pathways in the presence of CO2.Direct Detection of the Superoxide Anion as a Stable Intermediate in the Electroreduction of Oxygen in a Non-Aqueous Electrolyte Containing Phenol as a Proton Source.Hydrogen adsorption on and spillover from Au- and Cu-supported Pt3 and Pd3 clusters: a density functional study.An insight into methanol oxidation mechanisms on RuO2(100) under an aqueous environment by DFT calculations.Modeling the active sites of Co-promoted MoS2 particles by DFT.A kinetic model of water adsorption, clustering and dissociation on the Fe3S4{001} surface.Semiempirical modeling of electrochemical charge transfer.Kinetically induced irreversibility in electro-oxidation and reduction of Pt surface.Enhancing alkaline hydrogen evolution reaction activity through Ni-Mn3O4 nanocomposites.Electrochemical interfacial influences on deoxygenation and hydrogenation reactions in CO reduction on a Cu(100) surface.Hydrogen adsorption on MoS2-surfaces: a DFT study on preferential sites and the effect of sulfur and hydrogen coverage.A post Gurney quantum mechanical perspective on the electrolysis of water: ion neutralization in solution.Density functional theory study of the electrochemical interface between a Pt electrode and an aqueous electrolyte using an implicit solvent method.Mechanistic origin of low polarization in aprotic Na-O2 batteries.Faraday efficiency and mechanism of electrochemical surface reactions: CO2 reduction and H2 formation on Pt(111).Widely available active sites on Ni2P for electrochemical hydrogen evolution – insights from first principles calculationsOH formation and H adsorption at the liquid water-Pt(111) interfaceA core–shell Pd1Ru1Ni2@Pt/C catalyst with a ternary alloy core and Pt monolayer: enhanced activity and stability towards the oxygen reduction reaction by the addition of NiAtomic scale simulations of heterogeneous electrocatalysis: recent advances
P2860
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P2860
Density functional theory calculations for the hydrogen evolution reaction in an electrochemical double layer on the Pt(111) electrode.
description
2007 nî lūn-bûn
@nan
2007年の論文
@ja
2007年学术文章
@wuu
2007年学术文章
@zh
2007年学术文章
@zh-cn
2007年学术文章
@zh-hans
2007年学术文章
@zh-my
2007年学术文章
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@yue
2007年學術文章
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name
Density functional theory calc ...... hemical double layer on the Pt
@nl
Density functional theory calc ...... ayer on the Pt(111) electrode.
@en
type
label
Density functional theory calc ...... hemical double layer on the Pt
@nl
Density functional theory calc ...... ayer on the Pt(111) electrode.
@en
prefLabel
Density functional theory calc ...... hemical double layer on the Pt
@nl
Density functional theory calc ...... ayer on the Pt(111) electrode.
@en
P2093
P50
P356
P1476
Density functional theory calc ...... ayer on the Pt(111) electrode.
@en
P2093
Egill Skúlason
Gustav S Karlberg
Jeff Greeley
Jens K Nørskov
P304
P356
10.1039/B700099E
P407
P577
2007-05-30T00:00:00Z