A molecular beam study of D2 dissociation on Pt(111): Testing SRP-DFT calculations

被引：10

作者：

Cao, Kun ^{[1
]}

van Lent, Richard ^{[1
]}

Kleyn, A. W. ^{[2
]}

Juurlink, L. B. F. ^{[1
]}

机构：

[1] Leiden Univ, Leiden Inst Chem, Gorlaeus Labs, POB 9502, NL-2300 RA Leiden, Netherlands

[2] CAEP, Inst Mat, Ctr Interface Dynam Sustainabil, Chengdu, Sichuan, Peoples R China

来源：

CHEMICAL PHYSICS LETTERS | 2018年 / 706卷

关键词：

Hydrogen; Deuterium; Pt(111); Dissociation; Molecular beam; Energetic corrugation; Geometric corrugation; CHEMICALLY ACCURATE SIMULATION; HYDROGEN DISSOCIATION; DIFFRACTIVE SCATTERING; CLASSICAL DYNAMICS; H-2; DISSOCIATION; QUANTUM DYNAMICS; HD SCATTERING; SURFACE; ADSORPTION; EXCITATION;

D O I：

10.1016/j.cplett.2018.07.024

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We investigate geometric corrugation for D-2 dissociation on Pt( 1 1 1) by mapping the dependence of the initial reaction probability on incident kinetic energy and polar angle for two different azimuths. In accordance with predictions from dynamical calculations of dissociation on an SRP-based potential energy surface, we find at most a very weak signature of geometric corrugation at large polar angles. (C) 2018 The Authors. Published by Elsevier B.V.

引用

页码：680 / 683

页数：4

共 29 条

[1] BOUND LEVEL RESONANCES IN ROTATIONALLY INELASTIC HD-PT (111) SURFACE SCATTERING [J].

COWIN, JP ;

YU, CF ;

SIBENER, SJ ;

HURST, JE .

JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (02) :1033-1034

[2] HD SCATTERING FROM PT(111) - ROTATIONALLY MEDIATED SELECTIVE ADSORPTION [J].

COWIN, JP ;

YU, CF ;

WHARTON, L .

SURFACE SCIENCE, 1985, 161 (01) :221-233

[3] HD SCATTERING FROM PT(111) - ROTATIONAL-EXCITATION PROBABILITIES [J].

COWIN, JP ;

YU, CF ;

SIBENER, SJ ;

WHARTON, L .

JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (07) :3537-3549

[4] THE ROLE OF PARALLEL MOMENTUM IN THE DISSOCIATIVE ADSORPTION OF H-2 AT HIGHLY CORRUGATED SURFACES [J].

DARLING, GR ;

HOLLOWAY, S .

SURFACE SCIENCE, 1994, 304 (03) :L461-L467

[5] The dissociation of diatomic molecules at surfaces [J].

Darling, GR ;

Holloway, S .

REPORTS ON PROGRESS IN PHYSICS, 1995, 58 (12) :1595-1672

[6] Chemically Accurate Simulation of a Prototypical Surface Reaction: H2 Dissociation on Cu(111) [J].

Diaz, C. ;

Pijper, E. ;

Olsen, R. A. ;

Busnengo, H. F. ;

Auerbach, D. J. ;

Kroes, G. J. .

SCIENCE, 2009, 326 (5954) :832-834

[7] The role of steps in the dynamics of hydrogen dissociation on Pt(533) [J].

Gee, AT ;

Hayden, BE ;

Mormiche, C ;

Nunney, TS .

JOURNAL OF CHEMICAL PHYSICS, 2000, 112 (17) :7660-7668

[8] The blocking of the step-mediated indirect channel to hydrogen dissociation by oxygen on Pt(533) [J].

Gee, AT ;

Hayden, BE ;

Mormiche, C ;

Nunney, TS .

SURFACE SCIENCE, 2002, 512 (03) :165-172

[9] Chemically accurate simulation of dissociative chemisorption of D2 on Pt (111) [J].

Ghassemi, Elham Nour ;

Wijzenbroek, Mark ;

Somers, Mark F. ;

Kroes, Geert-Jan .

CHEMICAL PHYSICS LETTERS, 2017, 683 :329-335

[10] Supersonic molecular beam studies of dissociative adsorption of H2 on Ru(0001) [J].

Groot, I. M. N. ;

Ueta, H. ;

van der Niet, M. J. T. C. ;

Kleyn, A. W. ;

Juurlink, L. B. F. .

JOURNAL OF CHEMICAL PHYSICS, 2007, 127 (24)

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