Stable aluminum and chromium oxide clusters as precursors to nanoscale materials

T. Morisato, N. O. Jones, S. N. Khanna, Y. Kawazoe

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

It is shown that by using specific physical and chemical criterion, it is possible to identify clusters with interesting properties that are highly stable and fairly rigid so that they are likely to form extended structures maintaining their identity and properties. The first area involves the chemical control of the electronic affinity and magnetic behavior of chromium oxide clusters. Here, we show that fully coordinated CrnO3n clusters are extremely stable and could form ionic molecules when combined with alkali atoms. The second area relates to aluminum based clusters where it has been shown that by reacting aluminum clusters with HI, it is possible to form very stable Al13I- clusters. Here we discuss why such a reaction with HCl does not produce, Al13Cl- and how the stability of these clusters is governed by electronic shell structure of a nearly free electron system.

Original languageEnglish
Pages (from-to)366-370
Number of pages5
JournalComputational Materials Science
Volume35
Issue number3
DOIs
Publication statusPublished - 2006 Mar 1

Keywords

  • Aluminum clusters
  • Building blocks
  • Chromium oxide clusters
  • Electronic structure

ASJC Scopus subject areas

  • Computer Science(all)
  • Chemistry(all)
  • Materials Science(all)
  • Mechanics of Materials
  • Physics and Astronomy(all)
  • Computational Mathematics

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