Theoretical prediction of the fundamental properties for the ternary Li2PtH6 and Na2PtH6

Article ID	Journal	Published Year	Pages	File Type
7760802	Journal of Solid State Chemistry	2012	6 Pages	PDF

Abstract

âº We predict elastic moduli, energy gaps and optical parameters. âº Electron effective mass is anisotropic. âº Li2PtH6 and Na2PtH6 are indirect gap semiconductors. âº The contribution to the optical spectra from main transitions are predicted.

Keywords

Effective masses Structural properties Hydrogen storage Band structure DFT calculation

Related Topics

Physical Sciences and Engineering Chemistry Inorganic Chemistry

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Theoretical prediction of the fundamental properties for the ternary Li2PtH6 and Na2PtH6

Authors

M.A. Ghebouli, H. Choutri, N. Bouarissa, B. Ghebouli, A. Bouhemadou, F. Soyalp, E. Uçgun, H.Y. Ocak,