Boron and Carbon Nanomaterials ResearchHydrogen Storage and MaterialsBoron Compounds in Chemistry
Qamar Abuhassan, Luma Hussain Saleh, G. Padmapriya, Subhashree Ray, A. Pal, Renu Sharma, Arofat Inkhonova, A. Zoyidov, Saodatkhon Ibragimova, Varagunapandiyan Natarajan, Saiful Islam
2026.1.1NEW JOURNAL OF CHEMISTRY
Abstract
This research investigates the potential of Li- and Sc-decorated carbon-doped B12N12 nanocages for reversible hydrogen storage, utilizing density functional theory calculations. The introduction of carbon at boron or nitrogen sites...
Citation format
ABUHASSAN, Qamar, et al. Metal decorated carbon-doped BN fullerenes as highly efficient materials to solid-state hydrogen storage: Insights from DFT calculations. NEW JOURNAL OF CHEMISTRY, 2026, 50(18): 7854–7865.