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A Metal‐Free Strategy to Release Chemisorbed H 2 from Hydrogenated Boron Nitride Nanotubes
Author(s) -
Roy Lisa,
Bhunya Sourav,
Paul Ankan
Publication year - 2014
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.201403610
Subject(s) - boron nitride , catalysis , hydrogen , materials science , nanomaterials , chemical engineering , hydrogen storage , chemisorption , desorption , nanotube , metal , nitride , adsorption , inorganic chemistry , dehydrogenation , nanotechnology , carbon nanotube , chemistry , organic chemistry , layer (electronics) , metallurgy , engineering
Chemisorbed hydrogen on boron nitride nanotubes (BNNT) can only be released thermally at very high temperatures above 350 °C. However, no catalyst has been identified that could liberate H 2 from hydrogenated BN nanotubes under moderate conditions. Using different density functional methods we predict that the desorption of chemisorbed hydrogen from hydrogenated BN nanotubes can be facilitated catalytically by triflic acid at low free‐energy activation barriers and appreciable rates under metal free conditions and mildly elevated temperatures (40–50 °C). Our proposed mechanism shows that the acid is regenerated in the process and can further facilitate similar catalytic release of H 2 , thus suggesting all the chemisorbed hydrogen on the surface of the hydrogenated nanotube can be released in the form of H 2 . These findings essentially raise hope for the development of a sustainable chemical hydrogen storage strategy in BN nanomaterials.