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Published in 2021 at "International Journal of Hydrogen Energy"
DOI: 10.1016/j.ijhydene.2021.03.146
Abstract: Abstract In this work we have carried out extensive Density Functional Theory (DFT) and ab-initio Molecular Dynamics (AIMD) simulations to study the structural and electronic properties, thermal stability, and the adsorption/desorption processes of hydrogen H2…
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Keywords:
boron phosphide;
nanotubes bpnts;
lithium functionalized;
phosphide nanotubes ... See more keywords