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Titolo:
REACTION DYNAMICS OF ATOMIC-HYDROGEN WITH THE HYDROGENATED SI(001) (2X1) SURFACE
Autore:
KRATZER P;
Indirizzi:
TECH UNIV MUNICH,PHYS DEPT T30 D-85747 GARCHING GERMANY
Titolo Testata:
The Journal of chemical physics
fascicolo: 16, volume: 106, anno: 1997,
pagine: 6752 - 6763
SICI:
0021-9606(1997)106:16<6752:RDOAWT>2.0.ZU;2-U
Fonte:
ISI
Lingua:
ENG
Soggetto:
ELEY-RIDEAL MECHANISM; RECOMBINATIVE DESORPTION; METAL-SURFACE; VIBRATIONAL-EXCITATION; SI(100)-2X1 SURFACE; MONOHYDRIDE PHASE; H-2 DESORPTION; GAS-PHASE; ABSTRACTION; ADSORPTION;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Citazioni:
63
Recensione:
Indirizzi per estratti:
Citazione:
P. Kratzer, "REACTION DYNAMICS OF ATOMIC-HYDROGEN WITH THE HYDROGENATED SI(001) (2X1) SURFACE", The Journal of chemical physics, 106(16), 1997, pp. 6752-6763

Abstract

The formation of molecular hydrogen from the reaction of an ideal Si(001) (2x1) monohydride surface with gas-phase atomic hydrogen is simulated using classical trajectory calculations on an empirical potentialenergy surface. Apart from a direct Eley-Rideal reaction, reactions mediated by a ''hot precursor'' and induced desorption of homonuclear molecules are observed. For a reaction between light hydrogen and deuterium, the reactive cross section is large, similar to 25 Angstrom(2), and the reaction product is mainly HD, with a few percent admixture ofhomonuclear hydrogen molecules. About 0.8 eV of the exothermicity of the reaction end up as kinetic energy of the molecules, while 0.6 eV and 0.3 eV are found in vibration and rotation, respectively, Exchanging the isotope offered in the gas-phase and in the adsorbate has a small effect on the cross section and internal energy distribution. Details of the energy distribution could help to distinguish between the different reaction mechanisms. On the basis of the calculations, several dynamical features are predicted that could be tested experimentally. (C) 1997 American Institute of Physics.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 02/12/20 alle ore 18:22:21