Mechanical Force-Driven Charge Redistribution for Hydrogen Release at Ambient Conditions in Transition Metal-Intercalated Bilayer Graphene

Jongdeok Kim; Vikram Mahamiya; Massimiliano Di Ventra; Hoonkyung Lee

doi:10.48550/arxiv.2508.09501

Paper

Atlas literature

Research paper

Computational DFTTheoretical

Mechanical Force-Driven Charge Redistribution for Hydrogen Release at Ambient Conditions in Transition Metal-Intercalated Bilayer Graphene

Jongdeok Kim, Vikram Mahamiya, Massimiliano Di Ventra, Hoonkyung Lee

2025·10.48550/arxiv.2508.09501·arXiv:2508.09501

Samples

Each sample groups how it was prepared, characterized, and measured. Click a card to expand.

Monolayer graphene functionalized with a Sc atom and adsorbed H₂ molecules.

1 property

Simulated Supercell DftCStudied MaterialScStudied MaterialH₂Adsorbate Species

Monolayer graphene functionalized with a Ti atom and adsorbed H₂ molecules.

1 property

Simulated Supercell DftCStudied MaterialTiStudied MaterialH₂Adsorbate Species

Monolayer graphene functionalized with a V atom and adsorbed H₂ molecules.

1 property

Simulated Supercell DftCStudied MaterialVStudied MaterialH₂Adsorbate Species

Sc-intercalated bilayer graphene with adsorbed H₂ molecules at variable interlayer spacing.

2 properties

Simulated Supercell DftCStudied MaterialScStudied MaterialH₂Adsorbate Species

Ti-intercalated bilayer graphene with adsorbed H₂ molecules at variable interlayer spacing.

3 properties

Simulated Supercell DftCStudied MaterialTiStudied MaterialH₂Adsorbate Species

V-intercalated bilayer graphene with adsorbed H₂ molecules at variable interlayer spacing.

2 properties

Simulated Supercell DftCStudied MaterialVStudied MaterialH₂Adsorbate Species

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