Investigations of Physical Properties of XTiH and Implications for Solid State Hydrogen Storage.

This study adopts density functional theory to predict and thoroughly investigate new types of perovskite compounds for solid state storage of hydrogen. CaTiH and MgTiH perovskite hydrides are chosen and investigated using density functional theory in terms of ground state properties, electronic, me...

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Bibliographic Details

Published in:	Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences Vol. 74; no. 11; pp. 1023 - 1031
Main Author:	AL, Selgin
Format:	Article
Published:	De Gruyter Nov2019
Subjects:	Hydrogen storage Elastic constants Electronic band structure Modulus of rigidity Density functional theory Brittle materials Density of states
Online Access:	View this record in EBSCOhost