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Origin of circular and triangular pores in electron-irradiated hexagonal boron nitride | Matter42 Literature

Paper details

Research paper

Experimental CharacterizationComputational DFT

Origin of circular and triangular pores in electron-irradiated hexagonal boron nitride

Umair Javed, Manuel Längle, Vladimír Zobač, Alexander Markevich et al.

arXiv·2026·10.1021/acsanm.4c06998·arXiv:2507.13180

Samples

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

Commercial CVD-grown hBN from Graphene Supermarket transferred onto Quantifoil TEM Au grids.

3 preparations1 characterization3 properties6 figures

ExperimentalBNStudied Material

Commercial CVD-grown hBN from Sigma-Aldrich transferred onto Quantifoil TEM Au grids.

3 preparations1 characterization3 properties6 figures

ExperimentalBNStudied Material

Mechanically exfoliated hBN from HQ Graphene transferred onto Quantifoil TEM Au grids.

3 preparations1 characterization3 properties6 figures

ExperimentalBNStudied Material

Pristine hBN supercell used for DFT adsorption calculations.

1 property

Simulated Supercell DftBNStudied Material

hBN supercell containing a boron vacancy (VB) used for DFT adsorption calculations.

2 properties

Simulated Supercell DftBNStudied Material

hBN supercell containing a nitrogen vacancy (VN) used for DFT adsorption calculations.

1 property

Simulated Supercell DftBNStudied Material

hBN double-vacancy supercell used for DFT adsorption calculations.

No measurements recorded

Simulated Supercell DftBNStudied Material

Nine-atom vacancy with N-terminated edge used for DFT adsorption calculations.

2 properties

Simulated Supercell DftBNStudied Material

Nine-atom vacancy with B-terminated edge used for DFT adsorption calculations.

1 property

Simulated Supercell DftBNStudied Material

Materials

hexagonal boron nitride

BN

Studied Material

Also known as

hBN

Variables

dimensionality= monolayer

studied material

oxygen

O₂

Gas Species

Why these are connected

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

Paper details

Research paper

Experimental CharacterizationComputational DFT

Origin of circular and triangular pores in electron-irradiated hexagonal boron nitride

Umair Javed, Manuel Längle, Vladimír Zobač, Alexander Markevich et al.

arXiv·2026·10.1021/acsanm.4c06998·arXiv:2507.13180

Samples

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

Commercial CVD-grown hBN from Graphene Supermarket transferred onto Quantifoil TEM Au grids.

3 preparations1 characterization3 properties6 figures

ExperimentalBNStudied Material

Commercial CVD-grown hBN from Sigma-Aldrich transferred onto Quantifoil TEM Au grids.

3 preparations1 characterization3 properties6 figures

ExperimentalBNStudied Material

Mechanically exfoliated hBN from HQ Graphene transferred onto Quantifoil TEM Au grids.

3 preparations1 characterization3 properties6 figures

ExperimentalBNStudied Material

Pristine hBN supercell used for DFT adsorption calculations.

1 property

Simulated Supercell DftBNStudied Material

hBN supercell containing a boron vacancy (VB) used for DFT adsorption calculations.

2 properties

Simulated Supercell DftBNStudied Material

hBN supercell containing a nitrogen vacancy (VN) used for DFT adsorption calculations.

1 property

Simulated Supercell DftBNStudied Material

hBN double-vacancy supercell used for DFT adsorption calculations.

No measurements recorded

Simulated Supercell DftBNStudied Material

Nine-atom vacancy with N-terminated edge used for DFT adsorption calculations.

2 properties

Simulated Supercell DftBNStudied Material

Nine-atom vacancy with B-terminated edge used for DFT adsorption calculations.

1 property

Simulated Supercell DftBNStudied Material

Materials

hexagonal boron nitride

BN

Studied Material

Also known as

hBN

Variables

dimensionality= monolayer

studied material

oxygen

O₂

Gas Species

Why these are connected

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

Paper details

Research paper

Experimental CharacterizationComputational DFT

Origin of circular and triangular pores in electron-irradiated hexagonal boron nitride

Umair Javed, Manuel Längle, Vladimír Zobač, Alexander Markevich et al.

arXiv·2026·10.1021/acsanm.4c06998·arXiv:2507.13180

Samples

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

Commercial CVD-grown hBN from Graphene Supermarket transferred onto Quantifoil TEM Au grids.

3 preparations1 characterization3 properties6 figures

ExperimentalBNStudied Material

Commercial CVD-grown hBN from Sigma-Aldrich transferred onto Quantifoil TEM Au grids.

3 preparations1 characterization3 properties6 figures

ExperimentalBNStudied Material

Mechanically exfoliated hBN from HQ Graphene transferred onto Quantifoil TEM Au grids.

3 preparations1 characterization3 properties6 figures

ExperimentalBNStudied Material

Pristine hBN supercell used for DFT adsorption calculations.

1 property

Simulated Supercell DftBNStudied Material

hBN supercell containing a boron vacancy (VB) used for DFT adsorption calculations.

2 properties

Simulated Supercell DftBNStudied Material

hBN supercell containing a nitrogen vacancy (VN) used for DFT adsorption calculations.

1 property

Simulated Supercell DftBNStudied Material

hBN double-vacancy supercell used for DFT adsorption calculations.

No measurements recorded

Simulated Supercell DftBNStudied Material

Nine-atom vacancy with N-terminated edge used for DFT adsorption calculations.

2 properties

Simulated Supercell DftBNStudied Material

Nine-atom vacancy with B-terminated edge used for DFT adsorption calculations.

1 property

Simulated Supercell DftBNStudied Material

Materials

hexagonal boron nitride

BN

Studied Material

Also known as

hBN

Variables

dimensionality= monolayer

studied material

oxygen

O₂

Gas Species

Why these are connected

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

Paper details

Research paper

Experimental CharacterizationComputational DFT

Origin of circular and triangular pores in electron-irradiated hexagonal boron nitride

Umair Javed, Manuel Längle, Vladimír Zobač, Alexander Markevich et al.

arXiv·2026·10.1021/acsanm.4c06998·arXiv:2507.13180

Samples

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

Commercial CVD-grown hBN from Graphene Supermarket transferred onto Quantifoil TEM Au grids.

3 preparations1 characterization3 properties6 figures

ExperimentalBNStudied Material

Commercial CVD-grown hBN from Sigma-Aldrich transferred onto Quantifoil TEM Au grids.

3 preparations1 characterization3 properties6 figures

ExperimentalBNStudied Material

Mechanically exfoliated hBN from HQ Graphene transferred onto Quantifoil TEM Au grids.

3 preparations1 characterization3 properties6 figures

ExperimentalBNStudied Material

Pristine hBN supercell used for DFT adsorption calculations.

1 property

Simulated Supercell DftBNStudied Material

hBN supercell containing a boron vacancy (VB) used for DFT adsorption calculations.

2 properties

Simulated Supercell DftBNStudied Material

hBN supercell containing a nitrogen vacancy (VN) used for DFT adsorption calculations.

1 property

Simulated Supercell DftBNStudied Material

hBN double-vacancy supercell used for DFT adsorption calculations.

No measurements recorded

Simulated Supercell DftBNStudied Material

Nine-atom vacancy with N-terminated edge used for DFT adsorption calculations.

2 properties

Simulated Supercell DftBNStudied Material

Nine-atom vacancy with B-terminated edge used for DFT adsorption calculations.

1 property

Simulated Supercell DftBNStudied Material

Materials

hexagonal boron nitride

BN

Studied Material

Also known as

hBN

Variables

dimensionality= monolayer

studied material

oxygen

O₂

Gas Species

Why these are connected

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

paper2025
Exciton dispersion fine structure and deep ultraviolet optical conductivity of freestanding two-dimensional h-BN
growth annealingcharacterization TEMmaterial hBNtopic Graphene research and applications
paper2024
Delocalization of Quasiparticle Moiré States in Twisted Bilayer hBN

Properties

Type	Label	Value	Material	Sample	Condition	Source
Displacement Cross Section	edge atoms (60 kV)	0.4barn	BN	Commercial CVD-grown hBN from Graphene Supermarket transferr Commercial CVD-grown hBN from Sigma-Aldrich transferred onto Mechanically exfoliated hBN from HQ Graphene transferred ont		—
Displacement Cross Section	edge atoms (80 kV)	1.1barn	BN	Commercial CVD-grown hBN from Graphene Supermarket transferr Commercial CVD-grown hBN from Sigma-Aldrich transferred onto Mechanically exfoliated hBN from HQ Graphene transferred ont		—
Pore Growth Rate Slope	removed edge atoms per O₂ molecule	0.52edge_atoms_per_o2_molecule	BN	Commercial CVD-grown hBN from Graphene Supermarket transferr Commercial CVD-grown hBN from Sigma-Aldrich transferred onto Mechanically exfoliated hBN from HQ Graphene transferred ont		—
Adsorption Energy	O radical on pristine hBN	-1.89eV	BN	Pristine hBN supercell used for DFT adsorption calculations.		—
Adsorption Energy	O radical on N-vacancy	-9.3eV	BN	hBN supercell containing a nitrogen vacancy (VN) used for DF		—
Adsorption Energy	O radical on B-vacancy	-4.54eV	BN	hBN supercell containing a boron vacancy (VB) used for DFT a		—
Relative Stability Energy	B-O-B more favorable than N-O-N in double vacancy	3.7eV	BN	hBN supercell containing a boron vacancy (VB) used for DFT a		—
Relative Stability Energy	rotation of N-O bond to lower-energy configuration	0.46eV	BN	Nine-atom vacancy with N-terminated edge used for DFT adsorp		—
Adsorption Energy	O radical adsorption on vacancy-edge sites	-9.5eV	BN	Nine-atom vacancy with N-terminated edge used for DFT adsorp		—
Adsorption Energy	O radical adsorption on vacancy-edge sites	-4.5eV	BN	Nine-atom vacancy with B-terminated edge used for DFT adsorp		—

Properties

Type	Label	Value	Material	Sample	Condition	Source
Displacement Cross Section	edge atoms (60 kV)	0.4barn	BN	Commercial CVD-grown hBN from Graphene Supermarket transferr Commercial CVD-grown hBN from Sigma-Aldrich transferred onto Mechanically exfoliated hBN from HQ Graphene transferred ont		—
Displacement Cross Section	edge atoms (80 kV)	1.1barn	BN	Commercial CVD-grown hBN from Graphene Supermarket transferr Commercial CVD-grown hBN from Sigma-Aldrich transferred onto Mechanically exfoliated hBN from HQ Graphene transferred ont		—
Pore Growth Rate Slope	removed edge atoms per O₂ molecule	0.52edge_atoms_per_o2_molecule	BN	Commercial CVD-grown hBN from Graphene Supermarket transferr Commercial CVD-grown hBN from Sigma-Aldrich transferred onto Mechanically exfoliated hBN from HQ Graphene transferred ont		—
Adsorption Energy	O radical on pristine hBN	-1.89eV	BN	Pristine hBN supercell used for DFT adsorption calculations.		—
Adsorption Energy	O radical on N-vacancy	-9.3eV	BN	hBN supercell containing a nitrogen vacancy (VN) used for DF		—
Adsorption Energy	O radical on B-vacancy	-4.54eV	BN	hBN supercell containing a boron vacancy (VB) used for DFT a		—
Relative Stability Energy	B-O-B more favorable than N-O-N in double vacancy	3.7eV	BN	hBN supercell containing a boron vacancy (VB) used for DFT a		—
Relative Stability Energy	rotation of N-O bond to lower-energy configuration	0.46eV	BN	Nine-atom vacancy with N-terminated edge used for DFT adsorp		—
Adsorption Energy	O radical adsorption on vacancy-edge sites	-9.5eV	BN	Nine-atom vacancy with N-terminated edge used for DFT adsorp		—
Adsorption Energy	O radical adsorption on vacancy-edge sites	-4.5eV	BN	Nine-atom vacancy with B-terminated edge used for DFT adsorp		—

Properties

Type	Label	Value	Material	Sample	Condition	Source
Displacement Cross Section	edge atoms (60 kV)	0.4barn	BN	Commercial CVD-grown hBN from Graphene Supermarket transferr Commercial CVD-grown hBN from Sigma-Aldrich transferred onto Mechanically exfoliated hBN from HQ Graphene transferred ont		—
Displacement Cross Section	edge atoms (80 kV)	1.1barn	BN	Commercial CVD-grown hBN from Graphene Supermarket transferr Commercial CVD-grown hBN from Sigma-Aldrich transferred onto Mechanically exfoliated hBN from HQ Graphene transferred ont		—
Pore Growth Rate Slope	removed edge atoms per O₂ molecule	0.52edge_atoms_per_o2_molecule	BN	Commercial CVD-grown hBN from Graphene Supermarket transferr Commercial CVD-grown hBN from Sigma-Aldrich transferred onto Mechanically exfoliated hBN from HQ Graphene transferred ont		—
Adsorption Energy	O radical on pristine hBN	-1.89eV	BN	Pristine hBN supercell used for DFT adsorption calculations.		—
Adsorption Energy	O radical on N-vacancy	-9.3eV	BN	hBN supercell containing a nitrogen vacancy (VN) used for DF		—
Adsorption Energy	O radical on B-vacancy	-4.54eV	BN	hBN supercell containing a boron vacancy (VB) used for DFT a		—
Relative Stability Energy	B-O-B more favorable than N-O-N in double vacancy	3.7eV	BN	hBN supercell containing a boron vacancy (VB) used for DFT a		—
Relative Stability Energy	rotation of N-O bond to lower-energy configuration	0.46eV	BN	Nine-atom vacancy with N-terminated edge used for DFT adsorp		—
Adsorption Energy	O radical adsorption on vacancy-edge sites	-9.5eV	BN	Nine-atom vacancy with N-terminated edge used for DFT adsorp		—
Adsorption Energy	O radical adsorption on vacancy-edge sites	-4.5eV	BN	Nine-atom vacancy with B-terminated edge used for DFT adsorp		—

Properties

Type	Label	Value	Material	Sample	Condition	Source
Displacement Cross Section	edge atoms (60 kV)	0.4barn	BN	Commercial CVD-grown hBN from Graphene Supermarket transferr Commercial CVD-grown hBN from Sigma-Aldrich transferred onto Mechanically exfoliated hBN from HQ Graphene transferred ont		—
Displacement Cross Section	edge atoms (80 kV)	1.1barn	BN	Commercial CVD-grown hBN from Graphene Supermarket transferr Commercial CVD-grown hBN from Sigma-Aldrich transferred onto Mechanically exfoliated hBN from HQ Graphene transferred ont		—
Pore Growth Rate Slope	removed edge atoms per O₂ molecule	0.52edge_atoms_per_o2_molecule	BN	Commercial CVD-grown hBN from Graphene Supermarket transferr Commercial CVD-grown hBN from Sigma-Aldrich transferred onto Mechanically exfoliated hBN from HQ Graphene transferred ont		—
Adsorption Energy	O radical on pristine hBN	-1.89eV	BN	Pristine hBN supercell used for DFT adsorption calculations.		—
Adsorption Energy	O radical on N-vacancy	-9.3eV	BN	hBN supercell containing a nitrogen vacancy (VN) used for DF		—
Adsorption Energy	O radical on B-vacancy	-4.54eV	BN	hBN supercell containing a boron vacancy (VB) used for DFT a		—
Relative Stability Energy	B-O-B more favorable than N-O-N in double vacancy	3.7eV	BN	hBN supercell containing a boron vacancy (VB) used for DFT a		—
Relative Stability Energy	rotation of N-O bond to lower-energy configuration	0.46eV	BN	Nine-atom vacancy with N-terminated edge used for DFT adsorp		—
Adsorption Energy	O radical adsorption on vacancy-edge sites	-9.5eV	BN	Nine-atom vacancy with N-terminated edge used for DFT adsorp		—
Adsorption Energy	O radical adsorption on vacancy-edge sites	-4.5eV	BN	Nine-atom vacancy with B-terminated edge used for DFT adsorp		—