Hydrogen trapping efficiency of Li decorated porous boron fullerene B38: The first-principles study

Chunmei Tang; Hanlin Liu; Hongbing Yao; Ling Fu

doi:10.1016/j.ijhydene.2020.05.232

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Hydrogen trapping efficiency of Li decorated porous boron fullerene B38: The first-principles study

Chunmei Tang Hanlin Liu Hongbing Yao Ling Fu

Year: 2020 Journal: International Journal of Hydrogen Energy Vol: 45 (41)Pages: 21646-21654 Publisher: Elsevier BV

DOI: 10.1016/j.ijhydene.2020.05.232

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Keywords:

Density functional theory Fullerene Molecule Atom (system on chip) Natural bond orbital Hydrogen storage Hydrogen atom Atomic physics Adsorption Chemistry Hydrogen Binding energy Computational chemistry Materials science Chemical physics Physical chemistry Physics Organic chemistry

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Hydrogen Storage and Materials

Physical Sciences → Materials Science → Materials Chemistry

Boron and Carbon Nanomaterials Research

Physical Sciences → Materials Science → Materials Chemistry

MXene and MAX Phase Materials

Physical Sciences → Materials Science → Materials Chemistry

Hydrogen trapping efficiency of Li decorated porous boron fullerene B38: The first-principles study

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