Lithium-functionalized boron phosphide nanotubes (BPNTs) as an efficient hydrogen storage carrier
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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… read more here.
Keywords: boron phosphide; nanotubes bpnts; lithium functionalized; phosphide nanotubes ... See more keywords