Motif transition in growth patterns of small to medium-sized silicon clusters

Soohaeng Yoo, Xiao Cheng Zeng

Research output: Contribution to journalArticlepeer-review

109 Scopus citations

Abstract

Generic structural motif: Small to medium-sized, energetically low-lying silicon clusters Sin (11 < n < 30) are generally prolate in shape. Starting from Si16, DFT calculations show that silicon clusters are most likely built on a generic structural motif consisting of an Si6 sixfold puckered ring subunit (dark green) and a magic-number cluster such as the Si6 tetragonal bipyramid (light green), rather than on the Si9 tricapped trigonal prism (pink).

Original languageEnglish (US)
Pages (from-to)1491-1494
Number of pages4
JournalAngewandte Chemie - International Edition
Volume44
Issue number10
DOIs
StatePublished - Feb 25 2005

Keywords

  • Ab initio calculations
  • Cluster compounds
  • Density functional calculations
  • Silicon

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)

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