A density functional theory study of germanium Ge11 clusters

H. B. Luo, X. B. Li, Q. E. Zhang, M. D. Chen*, Yuen Kit CHENG

*Corresponding author for this work

Research output: Contribution to journalJournal articlepeer-review

2 Citations (Scopus)


The structures of 11 isomeric germanium Ge11 clusters have been investigated using the B3LYP-DFT method. An undocumented and energetically most stable isomer is predicted. Clusters derived from bi-capped square antiprism structure have the lowest total energies in general. Results herein give a clearer picture of constructing stable and larger Gen clusters (n>11) for the potential application in the semiconductor industry.

Original languageEnglish
Pages (from-to)83-86
Number of pages4
JournalJournal of Molecular Structure: THEOCHEM
Issue number1-3
Publication statusPublished - Apr 2004

Scopus Subject Areas

  • Biochemistry
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

User-Defined Keywords

  • B3LYP
  • Density functional theory
  • Ge
  • Germanium
  • Isomers


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