Noble-metal chalcogenide nanotubes

Zibouche N, Kuc A, Miró P, Heine T (2014)

Publication Type: Journal article

Publication year: 2014

Journal

Inorganics MDPI

Book Volume: 2

Pages Range: 556-564

Journal Issue: 4

DOI: 10.3390/inorganics2040556

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.

Involved external institutions

Jacobs University Bremen gGmbH DE Germany (DE)

How to cite

APA:

Zibouche, N., Kuc, A., Miró, P., & Heine, T. (2014). Noble-metal chalcogenide nanotubes. Inorganics, 2(4), 556-564. https://dx.doi.org/10.3390/inorganics2040556

MLA:

Zibouche, Nourdine, et al. "Noble-metal chalcogenide nanotubes." Inorganics 2.4 (2014): 556-564.

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