Campus Units

Chemistry, Ames Laboratory

Document Type

Article

Publication Version

Published Version

Publication Date

12-2007

Journal or Book Title

Journal of Physical Chemistry C

Volume

111

Issue

51

First Page

18824

Last Page

18830

DOI

10.1021/jp0777216

Abstract

We have systematically constructed a set of stable silicon nanocluster families with large arbitrary fullerene-type hollows inside. In addition, conglomerate structures are designed by connecting the nanoclusters through pentagonal and hexagonal junctions. The atomic and electronic structure of the proposed objects is investigated using the semiempirical quantum-mechanical method. It is shown that within each family the band gap and the stability are inversely proportional to the particle effective size. The clusters inherit a wide variety of structural and symmetry properties from their parent silicon fullerenes. The conglomerates confine electrons like quasi-molecules with a peculiar electronic structure related to the junctions. Quantum dots and their conglomerates can host guest atoms in their hollows and therefore present a new promising type of nanomaterials with tunable electronic properties.

Comments

Reprinted (adapted) with permission from Journal of Physical Chemistry C 111 (2007): 18824, doi:10.1021/jp0777216. Copyright 2007 American Chemical Society.

Copyright Owner

American Chemical Society

Language

en

File Format

application/pdf

Included in

Chemistry Commons

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