Titanium-decorated boron nitride nanotubes for hydrogen storage: a multiscale theoretical investigation.
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DOI: 10.1039/c9nr04578c
Abstract: A multiscale computational technique from available quantum mechanical and Molecular Dynamics (MD) codes to user-subroutine computational fluid dynamics (CFD) files was applied to the H2 adsorption of Ti-decorated (10,0) single-walled BN nanotubes (BNNTs) with B-N… read more here.
Keywords: hydrogen storage; boron nitride; nitride nanotubes; titanium decorated ... See more keywords