Noble-metal chalcogenide nanotubes

Nourdine Zibouche, Agnieszka Kuc, Pere Miró, Thomas Heine

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

We explore the stability and the electronic properties of hypothetical noble-metal chalcogenide nanotubes PtS2, PtSe2, PdS2 and PdSe2 by means of density functional theory calculations. Our findings show that the strain energy decreases inverse quadratically with the tube diameter, as is typical for other nanotubes. Moreover, the strain energy is independent of the tube chirality and converges towards the same value for large diameters. The band-structure calculations show that all noble-metal chalcogenide nanotubes are indirect band gap semiconductors. The corresponding band gaps increase with the nanotube diameter rapidly approaching the respective pristine 2D monolayer limit.

Original languageEnglish
Pages (from-to)556-564
Number of pages9
JournalInorganics
Volume2
Issue number4
DOIs
Publication statusPublished - 2014

All Science Journal Classification (ASJC) codes

  • Inorganic Chemistry

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