How non-adiabatic are surface dynamical processes?

被引：66

作者：

Hasselbrink, Eckart ^{[1
]}

机构：

[1] Univ Duisburg Essen, Fachbereich Chem, D-45117 Essen, Germany

[2] Univ Duisburg Essen, Ctr Nanointegrat, CeNIDE, D-45117 Essen, Germany

来源：

CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE | 2006年 / 10卷 / 3-4期

关键词：

Born-Oppenheimer approximation; gas-surface interaction; non-adiabatic processes; abstraction;

D O I：

10.1016/j.cossms.2007.04.003

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The state of experiments quantifying the significance of non-adiabatic effects. in dynamical processes at metal surfaces is reviewed. It is discussed to which extent these effects can be explained in a unifying view. Deficiencies in the present understanding and modelling of chemical reaction dynamics at metal surfaces are pointed out. Lines connecting the recent experimental and theoretical work dealing with external and internal exoelectron emission, abstractive chemisorption, possible non-adiabatic effects in gas-surface dynamics and vibrational energy transfer are discussed. (c) 2007 Elsevier Ltd. All rights reserved..

引用

页码：192 / 204

页数：13

共 117 条

[1] Effects of vibrational relaxation on the photodesorption of NO from Pt(111): A density matrix study [J].

Abe, A ;

Yamashita, K .

JOURNAL OF CHEMICAL PHYSICS, 2003, 119 (18) :9710-9718

[2] SURFACE CHEMI-LUMINESCENCE IN THE KSOLID + CL2GAS REACTION [J].

ANDERSSON, D ;

KASEMO, B ;

WALLDEN, L .

SURFACE SCIENCE, 1985, 152 (APR) :576-586

[3] SUBPICOSECOND TRANSIENT INFRARED-SPECTROSCOPY OF ADSORBATES - VIBRATIONAL DYNAMICS OF CO/PT(111) [J].

BECKERLE, JD ;

CAVANAGH, RR ;

CASASSA, MP ;

HEILWEIL, EJ ;

STEPHENSON, JC .

JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (07) :5403-5418

[4] Dissociation of O2 at Al(111):: The role of spin selection rules -: art. no. 036104 [J].

Behler, J ;

Delley, B ;

Lorenz, S ;

Reuter, K ;

Scheffler, M .

PHYSICAL REVIEW LETTERS, 2005, 94 (03)

[5]

BEHLER J, UNPUB PHYS REV B

[6] Nonadiabatic potential-energy surfaces by constrained density-functional theory [J].

Behler, Joerg ;

Delley, Bernard ;

Reuter, Karsten ;

Scheffler, Matthias .

PHYSICAL REVIEW B, 2007, 75 (11)

[7] Abstraction of oxygen from dioxygen on Al(111) revealed by resonant multiphoton ionization laser spectrometry [J].

Binetti, M ;

Hasselbrink, E .

JOURNAL OF PHYSICAL CHEMISTRY B, 2004, 108 (38) :14677-14684

[8] The role of nonadiabatic pathways and molecular rotations in the oxygen abstraction reaction on the Al(111) surface [J].

Binetti, M ;

Weisse, O ;

Hasselbrink, E ;

Katz, G ;

Kosloff, R ;

Zeiri, Y .

CHEMICAL PHYSICS LETTERS, 2003, 373 (3-4) :366-371

[9] Phonon- versus electron-mediated desorption and oxidation of CO on Ru(0001) [J].

Bonn, M ;

Funk, S ;

Hess, C ;

Denzler, DN ;

Stampfl, C ;

Scheffler, M ;

Wolf, M ;

Ertl, G .

SCIENCE, 1999, 285 (5430) :1042-1045

[10] NONADIABATIC SURFACE-REACTION - MECHANISM OF ELECTRON-EMISSION IN THE CS+O-2 SYSTEM [J].

BOTTCHER, A ;

IMBECK, R ;

MORGANTE, A ;

ERTL, G .

PHYSICAL REVIEW LETTERS, 1990, 65 (16) :2035-2037

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