Open AccessStructural characterization of light metal borohydrides by dispersion-corrected density functional theory modelling
Author(s) -
Mariana Derzsi,
Agnieszka Starobrat,
Tomasz Jaroń,
P. Malinowski,
Wojciech Grochala
Publication year - 2020
Language(s) - English
Resource type - Conference proceedings
DOI - 10.3390/iocc_2020-07333
Subject(s) - density functional theory , hydrogen storage , gravimetric analysis , crystal structure , crystallinity , materials science , thermochemistry , phonon , hydrogen , thermodynamics , chemistry , physics , computational chemistry , crystallography , condensed matter physics , quantum mechanics , organic chemistry