Tunable interfacial chemisorption with atomic-level precision in a graphene/WSe2 heterostructure

Mo-Han Zhang; Fei Gao; Aleksander Bach Lorentzen; Ya-Ning Ren; Ruo-Han Zhang; Xiao-Feng Zhou; Rui Dong; Shi-Wu Gao; Mads Brandbyge; Lin He

doi:10.5281/zenodo.597181

Paper details

Research paper

Experimental CharacterizationComputational DFT

Tunable interfacial chemisorption with atomic-level precision in a graphene/WSe₂ heterostructure

Mo-Han Zhang, Fei Gao, Aleksander Bach Lorentzen, Ya-Ning Ren et al.

2023·10.5281/zenodo.597181·arXiv:2311.06515

Samples

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

Graphene/WSe₂ heterostructure with interfacial individual Se atoms extracted from WSe₂ and chemisorbed on graphene at bridge or sublattice sites.

1 preparation1 characterization6 properties2 figures

ExperimentalCStudied MaterialWSe₂Studied MaterialSeAdsorbate Species

DFT model of a single Se atom chemisorbed on the graphene bridge site.

1 characterization2 properties1 figure

Simulated Supercell DftCStudied MaterialSeAdsorbate Species

DFT model of a single Se atom chemisorbed on the graphene A/B sublattice carbon site.

1 characterization2 properties1 figure

Simulated Supercell DftCStudied MaterialSeAdsorbate Species

Materials

graphene

Studied Material

Also known as

monolayer graphene

Variables

dimensionality= 2D

studied material

WSe₂

Studied Material

Why these are connected

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

Tunable interfacial chemisorption with atomic-level precision in a graphene/WSe2 heterostructure | Matter42 Literature

Properties

Type	Label	Value	Material	Sample	Source
Stm Apparent Height	Se protrusion height	157pm	Se	Graphene/WSe₂ heterostructure with interfacial individual Se	—
Stm Depth	Se vacancy pit depth	-67pm	WSe₂	Graphene/WSe₂ heterostructure with interfacial individual Se	—
Binding Energy	Se bridge-site binding energy	1.02eV	C Se	DFT model of a single Se atom chemisorbed on the graphene br	—
Formation Energy	Se C-site energy cost	0.17eV	C Se	DFT model of a single Se atom chemisorbed on the graphene A/	—
Sts Peak	resonance peak	280meV	Se	Graphene/WSe₂ heterostructure with interfacial individual Se	—
Sts Peak	resonance peak	180meV	Se	Graphene/WSe₂ heterostructure with interfacial individual Se	—
Calculated Ldos Peak	hybridized Se-pz / C-pz peak	500meV	Se	DFT model of a single Se atom chemisorbed on the graphene br	—
Calculated Ldos Peak	hybridized Se-pz / C-pz peak	200meV	Se	DFT model of a single Se atom chemisorbed on the graphene A/	—
Wavefront Dislocation Count	bridge-site filtered vortex dislocations	0	C Se	Graphene/WSe₂ heterostructure with interfacial individual Se	—
Wavefront Dislocation Count	C-site filtered vortex dislocations	2	C Se	Graphene/WSe₂ heterostructure with interfacial individual Se	—

Properties

Type	Label	Value	Material	Sample	Source
Stm Apparent Height	Se protrusion height	157pm	Se	Graphene/WSe₂ heterostructure with interfacial individual Se	—
Stm Depth	Se vacancy pit depth	-67pm	WSe₂	Graphene/WSe₂ heterostructure with interfacial individual Se	—
Binding Energy	Se bridge-site binding energy	1.02eV	C Se	DFT model of a single Se atom chemisorbed on the graphene br	—
Formation Energy	Se C-site energy cost	0.17eV	C Se	DFT model of a single Se atom chemisorbed on the graphene A/	—
Sts Peak	resonance peak	280meV	Se	Graphene/WSe₂ heterostructure with interfacial individual Se	—
Sts Peak	resonance peak	180meV	Se	Graphene/WSe₂ heterostructure with interfacial individual Se	—
Calculated Ldos Peak	hybridized Se-pz / C-pz peak	500meV	Se	DFT model of a single Se atom chemisorbed on the graphene br	—
Calculated Ldos Peak	hybridized Se-pz / C-pz peak	200meV	Se	DFT model of a single Se atom chemisorbed on the graphene A/	—
Wavefront Dislocation Count	bridge-site filtered vortex dislocations	0	C Se	Graphene/WSe₂ heterostructure with interfacial individual Se	—
Wavefront Dislocation Count	C-site filtered vortex dislocations	2	C Se	Graphene/WSe₂ heterostructure with interfacial individual Se	—

Properties

Type	Label	Value	Material	Sample	Source
Stm Apparent Height	Se protrusion height	157pm	Se	Graphene/WSe₂ heterostructure with interfacial individual Se	—
Stm Depth	Se vacancy pit depth	-67pm	WSe₂	Graphene/WSe₂ heterostructure with interfacial individual Se	—
Binding Energy	Se bridge-site binding energy	1.02eV	C Se	DFT model of a single Se atom chemisorbed on the graphene br	—
Formation Energy	Se C-site energy cost	0.17eV	C Se	DFT model of a single Se atom chemisorbed on the graphene A/	—
Sts Peak	resonance peak	280meV	Se	Graphene/WSe₂ heterostructure with interfacial individual Se	—
Sts Peak	resonance peak	180meV	Se	Graphene/WSe₂ heterostructure with interfacial individual Se	—
Calculated Ldos Peak	hybridized Se-pz / C-pz peak	500meV	Se	DFT model of a single Se atom chemisorbed on the graphene br	—
Calculated Ldos Peak	hybridized Se-pz / C-pz peak	200meV	Se	DFT model of a single Se atom chemisorbed on the graphene A/	—
Wavefront Dislocation Count	bridge-site filtered vortex dislocations	0	C Se	Graphene/WSe₂ heterostructure with interfacial individual Se	—
Wavefront Dislocation Count	C-site filtered vortex dislocations	2	C Se	Graphene/WSe₂ heterostructure with interfacial individual Se	—

Properties

Type	Label	Value	Material	Sample	Source
Stm Apparent Height	Se protrusion height	157pm	Se	Graphene/WSe₂ heterostructure with interfacial individual Se	—
Stm Depth	Se vacancy pit depth	-67pm	WSe₂	Graphene/WSe₂ heterostructure with interfacial individual Se	—
Binding Energy	Se bridge-site binding energy	1.02eV	C Se	DFT model of a single Se atom chemisorbed on the graphene br	—
Formation Energy	Se C-site energy cost	0.17eV	C Se	DFT model of a single Se atom chemisorbed on the graphene A/	—
Sts Peak	resonance peak	280meV	Se	Graphene/WSe₂ heterostructure with interfacial individual Se	—
Sts Peak	resonance peak	180meV	Se	Graphene/WSe₂ heterostructure with interfacial individual Se	—
Calculated Ldos Peak	hybridized Se-pz / C-pz peak	500meV	Se	DFT model of a single Se atom chemisorbed on the graphene br	—
Calculated Ldos Peak	hybridized Se-pz / C-pz peak	200meV	Se	DFT model of a single Se atom chemisorbed on the graphene A/	—
Wavefront Dislocation Count	bridge-site filtered vortex dislocations	0	C Se	Graphene/WSe₂ heterostructure with interfacial individual Se	—
Wavefront Dislocation Count	C-site filtered vortex dislocations	2	C Se	Graphene/WSe₂ heterostructure with interfacial individual Se	—

Tunable interfacial chemisorption with atomic-level precision in a graphene/WSe₂ heterostructure

Samples

Graphene/WSe₂ heterostructure with interfacial individual Se atoms extracted from WSe₂ and chemisorbed on graphene at bridge or sublattice sites.

DFT model of a single Se atom chemisorbed on the graphene bridge site.

DFT model of a single Se atom chemisorbed on the graphene A/B sublattice carbon site.

Materials

Why these are connected

Tunable interfacial chemisorption with atomic-level precision in a graphene/WSe₂ heterostructure

Samples

Graphene/WSe₂ heterostructure with interfacial individual Se atoms extracted from WSe₂ and chemisorbed on graphene at bridge or sublattice sites.

DFT model of a single Se atom chemisorbed on the graphene bridge site.

DFT model of a single Se atom chemisorbed on the graphene A/B sublattice carbon site.

Materials

Why these are connected

Tunable interfacial chemisorption with atomic-level precision in a graphene/WSe₂ heterostructure

Samples

Graphene/WSe₂ heterostructure with interfacial individual Se atoms extracted from WSe₂ and chemisorbed on graphene at bridge or sublattice sites.

DFT model of a single Se atom chemisorbed on the graphene bridge site.

DFT model of a single Se atom chemisorbed on the graphene A/B sublattice carbon site.

Materials

Why these are connected

Tunable interfacial chemisorption with atomic-level precision in a graphene/WSe₂ heterostructure

Samples

Graphene/WSe₂ heterostructure with interfacial individual Se atoms extracted from WSe₂ and chemisorbed on graphene at bridge or sublattice sites.

DFT model of a single Se atom chemisorbed on the graphene bridge site.

DFT model of a single Se atom chemisorbed on the graphene A/B sublattice carbon site.

Materials

Why these are connected

Tunable interfacial chemisorption with atomic-level precision in a graphene/WSe₂ heterostructure

Samples

Graphene/WSe₂ heterostructure with interfacial individual Se atoms extracted from WSe₂ and chemisorbed on graphene at bridge or sublattice sites.

DFT model of a single Se atom chemisorbed on the graphene bridge site.

DFT model of a single Se atom chemisorbed on the graphene A/B sublattice carbon site.

Materials

Why these are connected

Tunable interfacial chemisorption with atomic-level precision in a graphene/WSe₂ heterostructure

Samples

Graphene/WSe₂ heterostructure with interfacial individual Se atoms extracted from WSe₂ and chemisorbed on graphene at bridge or sublattice sites.

DFT model of a single Se atom chemisorbed on the graphene bridge site.

DFT model of a single Se atom chemisorbed on the graphene A/B sublattice carbon site.

Materials

Why these are connected

Tunable interfacial chemisorption with atomic-level precision in a graphene/WSe₂ heterostructure

Samples

Graphene/WSe₂ heterostructure with interfacial individual Se atoms extracted from WSe₂ and chemisorbed on graphene at bridge or sublattice sites.

DFT model of a single Se atom chemisorbed on the graphene bridge site.

DFT model of a single Se atom chemisorbed on the graphene A/B sublattice carbon site.

Materials

Why these are connected

Tunable interfacial chemisorption with atomic-level precision in a graphene/WSe₂ heterostructure

Samples

Graphene/WSe₂ heterostructure with interfacial individual Se atoms extracted from WSe₂ and chemisorbed on graphene at bridge or sublattice sites.

DFT model of a single Se atom chemisorbed on the graphene bridge site.

DFT model of a single Se atom chemisorbed on the graphene A/B sublattice carbon site.

Materials

Why these are connected

Processing

Characterization

Properties

Simulations

Processing

Characterization

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Processing

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Processing

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