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author:

Xu, Y.-J. (Xu, Y.-J..) [1] | Li, J.-Q. (Li, J.-Q..) [2]

Indexed by:

Scopus

Abstract:

By means of cluster models coupled with density functional theory, we have studied the hydroboration of the Ge(1 0 0)-2 × 1 surface with BH 3 . It was found that the Ge(1 0 0) surface exhibits rather different surface reactivity toward the dissociative adsorption of BH 3 compared to the C(1 0 0) and Si(1 0 0) surfaces. The strong interaction still exists between the as-formed BH 2 and H adspeices although the dissociative adsorption of BH 3 on the Ge(1 0 0) surface occurs readily, which is in distinct contrast to that on the C(1 0 0) and Si(1 0 0) surfaces. This can be understood by the electrophilic nature of the down Ge atom, which makes it unfavourable to form a Ge{single bond}H bond with the dissociating proton-like hydrogen. Alternatively, it can be attributed to the weak proton affinity of the Ge(1 0 0) surface. Nevertheless, the overall dissociative adsorption of BH 3 on group IV semiconductor surfaces is favourable both thermodynamically and kinetically, suggesting the interesting analogy and similar diversity chemistry of solid surface in the same group. © 2005 Elsevier B.V. All rights reserved.

Keyword:

Adsorption; Borane; Density functional theory; Ge(1 0 0) surface

Community:

  • [ 1 ] [Xu, Y.-J.]School of Chemistry, Cardiff University, Main Building, Cardiff, CF10 3AT, United Kingdom
  • [ 2 ] [Li, J.-Q.]Department of Chemistry, Fuzhou University, Fuzhou, 350002, China
  • [ 3 ] [Li, J.-Q.]State Key Laboratory of Structure Chemistry, Fuzhou, 350002, China

Reprint 's Address:

  • [Xu, Y.-J.]School of Chemistry, Cardiff University, Main Building, Cardiff, CF10 3AT, United Kingdom

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Source :

Applied Surface Science

ISSN: 0169-4332

Year: 2006

Issue: 16

Volume: 252

Page: 5855-5860

1 . 4 3 6

JCR@2006

6 . 3 0 0

JCR@2023

JCR Journal Grade:2

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 0

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