DFT investigation computes properties of LaMg2H7 and identifies it as a candidate for hydrogen storage and thermal barrier coating applications.
Band gaps from the Tran-Blaha modified Becke-Johnson approach: A systematic investigation
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Exploring the Physical Properties, Hydrogen Storage Capacity and Thermal Barrier Performance of LaMg2H7: A First-Principles Investigation
DFT investigation computes properties of LaMg2H7 and identifies it as a candidate for hydrogen storage and thermal barrier coating applications.