Electron-hole pair excitation in molecule-surface collisions

被引：19

作者：

Billing, GD ^{[1
]}

机构：

[1] Univ Copenhagen, HC Orsted Inst, Dept Chem, DK-2100 Copenhagen O, Denmark

来源：

JOURNAL OF CHEMICAL PHYSICS | 2000年 / 112卷 / 01期

关键词：

D O I：

10.1063/1.480584

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 the role of electron-hole pair excitation in molecule-surface collisions by using a semiclassical model which incorporates coupling to phonons and electrons in the substrate. The model treats the dynamics of the incoming molecule by classical mechanics but quantizes the phonons and electrons using second quantization techniques. We find that neither phonons nor electron-hole pair excitation can be neglected for an accurate description of molecule-surface collisions. (C) 2000 American Institute of Physics. [S0021-9606(00)70401-6].

引用

页码：335 / 343

页数：9

共 26 条

[1] Hydrogen transport in nickel (111) [J].

Baer, R ;

Zeiri, Y ;

Kosloff, R .

PHYSICAL REVIEW B, 1997, 55 (16) :10952-10974

[2]

Billing G. D., 1996, INTRO MOL DYNAMICS C

[3]

Billing G.D., 1999, DYNAMICS MOL SURFACE

[4] SEMICLASSICAL THEORY FOR ATOM-SURFACE SCATTERING - CALCULATIONS ON AR+W(110) [J].

BILLING, GD .

CHEMICAL PHYSICS, 1983, 74 (02) :143-152

[5] THE DYNAMICS OF MOLECULE SURFACE INTERACTION [J].

BILLING, GD .

COMPUTER PHYSICS REPORTS, 1990, 12 (06) :383-450

[6] Vibrational relaxation of adsorbed molecules by coupling to electron-hole pair excitation [J].

Billing, GD .

CHEMICAL PHYSICS LETTERS, 1998, 290 (1-3) :150-154

[7] ELECTRON-HOLE PAIR VERSUS PHONON EXCITATION IN MOLECULE SURFACE COLLISIONS [J].

BILLING, GD .

CHEMICAL PHYSICS, 1987, 116 (02) :269-282

[8] ON A SEMI-CLASSICAL APPROACH TO ENERGY-TRANSFER BY ATOM MOLECULE SURFACE COLLISIONS [J].

BILLING, GD .

CHEMICAL PHYSICS, 1982, 70 (03) :223-239

[9]

BILLING GD, 1995, J PHYS CHEM-US, V99, P15738

[10] LIFETIMES OF ELECTRONICALLY ADIABATIC VIBRATIONAL-STATES OF A CHEMISORBED ATOM [J].

BRIVIO, GP ;

GRIMLEY, TB .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1977, 10 (13) :2351-2363

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