In this paper, within an ab initio framework, we are able to calculate the charge transfer er of N and Si adatoms on an Al surface described as jellium. We find Q(T) = 0.53 electrons for N, and Q(T) = 0.31 electrons for Si, at the adatom-surface equilibrium distance. This indicates a more ionic character of the N chemisorption bond on Al. These results are confirmed by a spectral analysis of both bonds.

Trioni, M., Montalenti, F., Brivio, G. (1996). Charge transfer in chemisorption: N and Si on Al. SOLID STATE COMMUNICATIONS, 99, 7-11 [10.1016/0038-1098(96)00247-5].

Charge transfer in chemisorption: N and Si on Al

MONTALENTI, FRANCESCO CIMBRO MATTIA;BRIVIO, GIANPAOLO
1996

Abstract

In this paper, within an ab initio framework, we are able to calculate the charge transfer er of N and Si adatoms on an Al surface described as jellium. We find Q(T) = 0.53 electrons for N, and Q(T) = 0.31 electrons for Si, at the adatom-surface equilibrium distance. This indicates a more ionic character of the N chemisorption bond on Al. These results are confirmed by a spectral analysis of both bonds.
Articolo in rivista - Articolo scientifico
Metal-Surfaces; Adsorption
English
7
11
5
Trioni, M., Montalenti, F., Brivio, G. (1996). Charge transfer in chemisorption: N and Si on Al. SOLID STATE COMMUNICATIONS, 99, 7-11 [10.1016/0038-1098(96)00247-5].
Trioni, M; Montalenti, F; Brivio, G
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10281/35996
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