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In Pursuit of Sustainable Hydrogen Storage with Boron-Nitride Fullerene as the Storage Medium
Gaurab Ganguly1, Tanmay Malakar1, Ankan Paul2
1Raman Centre for Atomic Molecular and Optical Sciences, Indian Association for the Cultivation of Science, 2A & 2B, Raja S.C. Mullick Road, Kolkata, 700032, India.
Abstract:
Using well calibrated DFT studies we predict that experimentally synthesized B24 N24 fullerene can serve as a potential reversible chemical hydrogen storage material with hydrogen-gas storage capacity up to 5.13 wt %. Our theoretical studies show that hydrogenation and dehydrogenation of the fullerene framework can be achieved at reasonable rates using existing metal-free hydrogenating agents and base metal-containing dehydrogenation catalysts.
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