Metal-decorated carbon-doped BN fullerenes as highly efficient materials for solid-state hydrogen storage: insights from DFT calculations

New Journal of Chemistry 2026

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Authors: Qamar Abuhassan, Luma Hussain Saleh, G. Padmapriya, Subhashree Ray, Amrita Pal, Renu Sharma, Arofat Inkhonova, Azam Nurilloevich Zoyidov, Sania Ibragimova, Varagunapandiyan Natarajan, Saiful Islam
DOI: 10.1039/d5nj04787k
Cited by: 1
References: 57

Abstract

DFT shows metal-decorated carbon-doped B 12 N 12 fullerenes store H 2 :Li 8 @B 12 C 12 (12.7%) and Sc 4 @B 12 C 12 (6.6%), with desorption at 263–349 K.

Fields of Study & Subjects

Boron and Carbon Nanomaterials Research Hydrogen Storage and Materials Boron Compounds in Chemistry

Publication details

Journal / source
New Journal of Chemistry
Publisher
Royal Society of Chemistry (RSC)
Volume
50
Issue
18
Pages
7854–7865
Publication date
1 January 2026
Language
EN