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Ti functionalized carbon and boron nitride chains: a promising material for hydrogen storage

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Published in 2017 at "Structural Chemistry"

DOI: 10.1007/s11224-017-1053-5

Abstract: The geometries, electronic structures, thermochemical properties, polarizabilities, and hyperpolarizabilities of high capacity hydrogen storage media consisting of alkali metal such as Li or transition metal as Ti, that is, functionalized at the end of C… read more here.

Keywords: promising material; storage; hydrogen storage; hydrogen ... See more keywords