Icosahedral polygermane and polystannane nanostructures

Antti J. Karttunen, Mikko Linnolahti*, Tapani A. Pakkanen

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

Abstract

Stable I-h-symmetric polygermane and polystannane nanostructures have been predicted on the basis of quantum chemical calculations. Structures, stabilities, and electronic properties of cages up to Ge500H500 and Sn500H500 were determined. The facets of the icosahedral cages resemble the monolayer sheets of experimentally known layered GeH. The stabilities and electronic properties of the cages converge toward the corresponding monolayer sheets. Due to their electronic properties, the polygermane and polystannane nanostructures may turn out to be useful in optical applications.

Original languageEnglish
Pages (from-to)6318-6320
Number of pages3
JournalJournal of Physical Chemistry C
Volume111
Issue number17
DOIs
Publication statusPublished - 3 May 2007
MoE publication typeA1 Journal article-refereed

Keywords

  • ZETA VALENCE QUALITY
  • BASIS-SETS
  • HARTREE-FOCK
  • GERMANIUM
  • POLYMERS
  • SILICON
  • DERIVATIVES
  • CHEMISTRY
  • CLUSTERS
  • ELEMENTS

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