A first-principles study on double-sided decorated boron–nitrogen co-doped graphene by vanadium for enhanced low-temperature reversible hydrogen storage
Santhanamoorthi Nachimuthu, Liang He, Hsiang-Jung Cheng, Reinard Dona Tiono, Jyh‐Chiang Jiang
Abstract
Boron–nitrogen co-doped graphene (BNDG) sheets are decorated with Ti and V metal atoms, and their structural and thermal stability towards hydrogen adsorption is investigated using first principles calculations.
Topics & Concepts
VanadiumBoronMaterials scienceGrapheneHydrogen storageHydrogenDopingNitrogenInorganic chemistryChemical engineeringNanotechnologyChemistryMetallurgyOptoelectronicsOrganic chemistryAlloyEngineeringHydrogen Storage and MaterialsAdvancements in Battery MaterialsSupercapacitor Materials and Fabrication