Position-dependent tight-binding model for Li impurities in monolayer and bilayer graphene

Hernán Aguirre; Hernán L. Calvo; Eduardo M. Perassi

doi:10.48550/arXiv.2607.18214

Paper details

Research paper

Computational DFTTheoretical

Position-dependent tight-binding model for Li impurities in monolayer and bilayer graphene

Hernán Aguirre, Hernán L. Calvo, Eduardo M. Perassi

2026·arXiv:2607.18214

Samples

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

Monolayer graphene supercell with a single adsorbed Li ion at position-dependent heights and different supercell sizes used for DFT band-structure calculations and TB fitting.

No measurements recorded

Simulated Supercell DftCStudied MaterialLiAdsorbate Species

AB-stacked bilayer graphene supercell with a single intercalated Li ion at position-dependent heights and different supercell sizes used for DFT band-structure calculations and TB fitting.

No measurements recorded

Simulated Supercell DftCStudied MaterialLiAdsorbate Species

Materials

graphene

Studied Material

Also known as

monolayer grapheneMLGbilayer grapheneBLG

Variables

stacking

Why these are connected

Related documents with shared materials, methods, properties, or citations.

Position-dependent tight-binding model for Li impurities in monolayer and bilayer graphene | Matter42 Literature

Position-dependent tight-binding model for Li impurities in monolayer and bilayer graphene

Samples

Monolayer graphene supercell with a single adsorbed Li ion at position-dependent heights and different supercell sizes used for DFT band-structure calculations and TB fitting.

AB-stacked bilayer graphene supercell with a single intercalated Li ion at position-dependent heights and different supercell sizes used for DFT band-structure calculations and TB fitting.

Materials

Why these are connected

Position-dependent tight-binding model for Li impurities in monolayer and bilayer graphene

Samples

Monolayer graphene supercell with a single adsorbed Li ion at position-dependent heights and different supercell sizes used for DFT band-structure calculations and TB fitting.

AB-stacked bilayer graphene supercell with a single intercalated Li ion at position-dependent heights and different supercell sizes used for DFT band-structure calculations and TB fitting.

Materials

Why these are connected

Position-dependent tight-binding model for Li impurities in monolayer and bilayer graphene

Samples

Monolayer graphene supercell with a single adsorbed Li ion at position-dependent heights and different supercell sizes used for DFT band-structure calculations and TB fitting.

AB-stacked bilayer graphene supercell with a single intercalated Li ion at position-dependent heights and different supercell sizes used for DFT band-structure calculations and TB fitting.

Materials

Why these are connected

Position-dependent tight-binding model for Li impurities in monolayer and bilayer graphene

Samples

Monolayer graphene supercell with a single adsorbed Li ion at position-dependent heights and different supercell sizes used for DFT band-structure calculations and TB fitting.

AB-stacked bilayer graphene supercell with a single intercalated Li ion at position-dependent heights and different supercell sizes used for DFT band-structure calculations and TB fitting.

Materials

Why these are connected

Position-dependent tight-binding model for Li impurities in monolayer and bilayer graphene

Samples

Monolayer graphene supercell with a single adsorbed Li ion at position-dependent heights and different supercell sizes used for DFT band-structure calculations and TB fitting.

AB-stacked bilayer graphene supercell with a single intercalated Li ion at position-dependent heights and different supercell sizes used for DFT band-structure calculations and TB fitting.

Materials

Why these are connected

Position-dependent tight-binding model for Li impurities in monolayer and bilayer graphene

Samples

Monolayer graphene supercell with a single adsorbed Li ion at position-dependent heights and different supercell sizes used for DFT band-structure calculations and TB fitting.

AB-stacked bilayer graphene supercell with a single intercalated Li ion at position-dependent heights and different supercell sizes used for DFT band-structure calculations and TB fitting.

Materials

Why these are connected

Position-dependent tight-binding model for Li impurities in monolayer and bilayer graphene

Samples

Monolayer graphene supercell with a single adsorbed Li ion at position-dependent heights and different supercell sizes used for DFT band-structure calculations and TB fitting.

AB-stacked bilayer graphene supercell with a single intercalated Li ion at position-dependent heights and different supercell sizes used for DFT band-structure calculations and TB fitting.

Materials

Why these are connected

Position-dependent tight-binding model for Li impurities in monolayer and bilayer graphene

Samples

Monolayer graphene supercell with a single adsorbed Li ion at position-dependent heights and different supercell sizes used for DFT band-structure calculations and TB fitting.

AB-stacked bilayer graphene supercell with a single intercalated Li ion at position-dependent heights and different supercell sizes used for DFT band-structure calculations and TB fitting.

Materials

Why these are connected

Simulations

Simulations

Simulations

Simulations