A THEORETICAL-STUDY OF THE INFLUENCE OF THE SURFACE ON THE ELECTRONIC-STRUCTURE OF CDSE NANOCLUSTERS

被引：122

作者：

HILL, NA

WHALEY, KB

机构：

[1] Department of Chemistry, University of California at Berkeley, Berkeley

来源：

JOURNAL OF CHEMICAL PHYSICS | 1994年 / 100卷 / 04期

关键词：

D O I：

10.1063/1.466477

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：

The effect of the cluster surface on the ground state electronic properties of CdSe nanoclusters is calculated using a tight-binding method. The calculation of optical matrix elements between. selected surface and interior states is described. We find that the density of states is strongly dependent on the nature of the cluster surface and that there is a significant probability of an optical transition into unoccupied surface states.

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页码：2831 / 2837

页数：7

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