Cadmium selenide semiconductor nanocrystals: a theoretical study

被引：101

作者：

Eichkorn, K ^{[1
]}

Ahlrichs, R ^{[1
]}

机构：

[1] Univ Karlsruhe, Inst Chem Phys, Inst Theoret Chem, D-76128 Karlsruhe, Germany

来源：

CHEMICAL PHYSICS LETTERS | 1998年 / 288卷 / 2-4期

关键词：

D O I：

10.1016/S0009-2614(98)00306-6

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：

We consider a series of known ligand-stabilized clusters of CdSe and compute structure, electronic excitations and electron affinities with a density functional theory approach. The trend of computed properties on cluster size and especially the results for the largest cluster treated, [Cd32Se14(SeR)(36)(PR3)(4)], R = H, display the effects encountered in the transition from molecular clusters to the solid state. We propose structural principles for ligand-stabilized CdSe clusters. (C) 1998 Elsevier Science B.V. All rights reserved.

引用

页码：235 / 242

页数：8