CHEMISORPTION OF ATOMIC H, C, N AND O ON A CLUSTER-MODEL GRAPHITE SURFACE

被引：37

作者：

FROMHERZ, T

MENDOZA, C

RUETTE, F

机构：

[1] IBM CORP, VENEZUELA SCI CTR, CARACAS 1060A, VENEZUELA

[2] IVIC, CTR QUIM, QUIM COMPUTAC LAB, CARACAS 1020A, VENEZUELA

来源：

MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY | 1993年 / 263卷 / 04期

关键词：

MOLECULAR PROCESSES; DUST; EXTINCTION; ISM; MOLECULES;

D O I：

10.1093/mnras/263.4.851

中图分类号：

P1 [天文学];

学科分类号：

0704 ;

摘要：

The adsorption of atomic H, C, N and O on a cluster-model graphite surface (a coronene-like cluster, C24H12) is studied in detail with the semi-empirical MINDO/3 method. It is shown that the formation of the adsorbate-substrate chemical bond weakens the substrate bond structure and consequently leads to substrate reconstruction. The importance of this effect in surface processes such as chemisorption, mobility and coverage formation is discussed.

引用

页码：851 / 860

页数：10

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