Water induced bandgap engineering in nanoribbons of hexagonal boron nitride

Chen Chen; Yang Hang; Hui Shan Wang; Yang Wang; Xiujun Wang; Chengxin Jiang; Yu Feng; Chenxi Liu; Eli Janzen; James H. Edgar; Zhipeng Wei; Wanlin Guo; Weida Hu; Zhuhua Zhang; Haomin Wang; Xiaoming Xie

doi:10.1002/adma.202303198

Paper details

Research paper

Computational DFTComputational MDExperimental CharacterizationExperimental GrowthComputed Raman

Water induced bandgap engineering in nanoribbons of hexagonal boron nitride

Chen Chen, Yang Hang, Hui Shan Wang, Yang Wang et al.

2024·10.1002/adma.202303198·arXiv:2511.19862

Samples

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

Catalytically cut zigzag hBN nanoribbons prepared on an hBN substrate and used for electrical and photocurrent measurements under controlled water-vapor exposure.

1 preparation2 characterizations3 properties2 figures

ExperimentalBNNRStudied MaterialhBNStudied Material

Bare zBNNR supercell used for first-principles band-structure calculations.

2 properties

Simulated Supercell DftBNNRStudied MaterialH₂OAdsorbate Species

zBNNR with ordered edge-adsorbed water molecules used for first-principles band-structure and electrostatic-potential calculations.

2 properties

Simulated Supercell DftBNNRStudied MaterialH₂OAdsorbate Species

hBN surface/edge adsorption model used to compare water adsorption energetics on the bulk surface versus the zigzag edge.

No measurements recorded

Simulated Supercell DfthBNStudied MaterialH₂OAdsorbate Species

Materials

hexagonal boron nitride

hBN

Studied Material

Also known as

hBN

studied material

zigzag hexagonal boron nitride nanoribbon

BNNR

Studied Material

Also known as

Why these are connected

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

Water induced bandgap engineering in nanoribbons of hexagonal boron nitride | Matter42 Literature

Properties

Type	Label	Value	Material	Sample	Source
Fet On Off Ratio	on/off ratio	103	BNNR	Catalytically cut zigzag hBN nanoribbons prepared on an hBN	—
Fet Carrier Concentration	conductance modulation	3 orders of magnitude tunability	BNNR	Catalytically cut zigzag hBN nanoribbons prepared on an hBN	—
Optical Band Gap	optical bandgap	1.17eV	BNNR	Catalytically cut zigzag hBN nanoribbons prepared on an hBN	—
Calculated Band Gap	bare zBNNR bandgap	4.17eV	BNNR	Bare zBNNR supercell used for first-principles band-structur	—
Calculated Band Gap	water-adsorbed zBNNR bandgap	2.83eV	BNNR	zBNNR with ordered edge-adsorbed water molecules used for fi	—
Calculated Band Gap	intrinsic zBNNR bandgap reference	4.17eV	BNNR	Bare zBNNR supercell used for first-principles band-structur	—
Calculated Band Gap	bandgap trend	decreases with width	BNNR	zBNNR with ordered edge-adsorbed water molecules used for fi	—

Properties

Type	Label	Value	Material	Sample	Source
Fet On Off Ratio	on/off ratio	103	BNNR	Catalytically cut zigzag hBN nanoribbons prepared on an hBN	—
Fet Carrier Concentration	conductance modulation	3 orders of magnitude tunability	BNNR	Catalytically cut zigzag hBN nanoribbons prepared on an hBN	—
Optical Band Gap	optical bandgap	1.17eV	BNNR	Catalytically cut zigzag hBN nanoribbons prepared on an hBN	—
Calculated Band Gap	bare zBNNR bandgap	4.17eV	BNNR	Bare zBNNR supercell used for first-principles band-structur	—
Calculated Band Gap	water-adsorbed zBNNR bandgap	2.83eV	BNNR	zBNNR with ordered edge-adsorbed water molecules used for fi	—
Calculated Band Gap	intrinsic zBNNR bandgap reference	4.17eV	BNNR	Bare zBNNR supercell used for first-principles band-structur	—
Calculated Band Gap	bandgap trend	decreases with width	BNNR	zBNNR with ordered edge-adsorbed water molecules used for fi	—

Properties

Type	Label	Value	Material	Sample	Source
Fet On Off Ratio	on/off ratio	103	BNNR	Catalytically cut zigzag hBN nanoribbons prepared on an hBN	—
Fet Carrier Concentration	conductance modulation	3 orders of magnitude tunability	BNNR	Catalytically cut zigzag hBN nanoribbons prepared on an hBN	—
Optical Band Gap	optical bandgap	1.17eV	BNNR	Catalytically cut zigzag hBN nanoribbons prepared on an hBN	—
Calculated Band Gap	bare zBNNR bandgap	4.17eV	BNNR	Bare zBNNR supercell used for first-principles band-structur	—
Calculated Band Gap	water-adsorbed zBNNR bandgap	2.83eV	BNNR	zBNNR with ordered edge-adsorbed water molecules used for fi	—
Calculated Band Gap	intrinsic zBNNR bandgap reference	4.17eV	BNNR	Bare zBNNR supercell used for first-principles band-structur	—
Calculated Band Gap	bandgap trend	decreases with width	BNNR	zBNNR with ordered edge-adsorbed water molecules used for fi	—

Properties

Type	Label	Value	Material	Sample	Source
Fet On Off Ratio	on/off ratio	103	BNNR	Catalytically cut zigzag hBN nanoribbons prepared on an hBN	—
Fet Carrier Concentration	conductance modulation	3 orders of magnitude tunability	BNNR	Catalytically cut zigzag hBN nanoribbons prepared on an hBN	—
Optical Band Gap	optical bandgap	1.17eV	BNNR	Catalytically cut zigzag hBN nanoribbons prepared on an hBN	—
Calculated Band Gap	bare zBNNR bandgap	4.17eV	BNNR	Bare zBNNR supercell used for first-principles band-structur	—
Calculated Band Gap	water-adsorbed zBNNR bandgap	2.83eV	BNNR	zBNNR with ordered edge-adsorbed water molecules used for fi	—
Calculated Band Gap	intrinsic zBNNR bandgap reference	4.17eV	BNNR	Bare zBNNR supercell used for first-principles band-structur	—
Calculated Band Gap	bandgap trend	decreases with width	BNNR	zBNNR with ordered edge-adsorbed water molecules used for fi	—

Water induced bandgap engineering in nanoribbons of hexagonal boron nitride

Samples

Catalytically cut zigzag hBN nanoribbons prepared on an hBN substrate and used for electrical and photocurrent measurements under controlled water-vapor exposure.

Bare zBNNR supercell used for first-principles band-structure calculations.

zBNNR with ordered edge-adsorbed water molecules used for first-principles band-structure and electrostatic-potential calculations.

hBN surface/edge adsorption model used to compare water adsorption energetics on the bulk surface versus the zigzag edge.

Materials

Why these are connected

Water induced bandgap engineering in nanoribbons of hexagonal boron nitride

Samples

Catalytically cut zigzag hBN nanoribbons prepared on an hBN substrate and used for electrical and photocurrent measurements under controlled water-vapor exposure.

Bare zBNNR supercell used for first-principles band-structure calculations.

zBNNR with ordered edge-adsorbed water molecules used for first-principles band-structure and electrostatic-potential calculations.

hBN surface/edge adsorption model used to compare water adsorption energetics on the bulk surface versus the zigzag edge.

Materials

Why these are connected

Water induced bandgap engineering in nanoribbons of hexagonal boron nitride

Samples

Catalytically cut zigzag hBN nanoribbons prepared on an hBN substrate and used for electrical and photocurrent measurements under controlled water-vapor exposure.

Bare zBNNR supercell used for first-principles band-structure calculations.

zBNNR with ordered edge-adsorbed water molecules used for first-principles band-structure and electrostatic-potential calculations.

hBN surface/edge adsorption model used to compare water adsorption energetics on the bulk surface versus the zigzag edge.

Materials

Why these are connected

Water induced bandgap engineering in nanoribbons of hexagonal boron nitride

Samples

Catalytically cut zigzag hBN nanoribbons prepared on an hBN substrate and used for electrical and photocurrent measurements under controlled water-vapor exposure.

Bare zBNNR supercell used for first-principles band-structure calculations.

zBNNR with ordered edge-adsorbed water molecules used for first-principles band-structure and electrostatic-potential calculations.

hBN surface/edge adsorption model used to compare water adsorption energetics on the bulk surface versus the zigzag edge.

Materials

Why these are connected

Water induced bandgap engineering in nanoribbons of hexagonal boron nitride

Samples

Catalytically cut zigzag hBN nanoribbons prepared on an hBN substrate and used for electrical and photocurrent measurements under controlled water-vapor exposure.

Bare zBNNR supercell used for first-principles band-structure calculations.

zBNNR with ordered edge-adsorbed water molecules used for first-principles band-structure and electrostatic-potential calculations.

hBN surface/edge adsorption model used to compare water adsorption energetics on the bulk surface versus the zigzag edge.

Materials

Why these are connected

Water induced bandgap engineering in nanoribbons of hexagonal boron nitride

Samples

Catalytically cut zigzag hBN nanoribbons prepared on an hBN substrate and used for electrical and photocurrent measurements under controlled water-vapor exposure.

Bare zBNNR supercell used for first-principles band-structure calculations.

zBNNR with ordered edge-adsorbed water molecules used for first-principles band-structure and electrostatic-potential calculations.

hBN surface/edge adsorption model used to compare water adsorption energetics on the bulk surface versus the zigzag edge.

Materials

Why these are connected

Water induced bandgap engineering in nanoribbons of hexagonal boron nitride

Samples

Catalytically cut zigzag hBN nanoribbons prepared on an hBN substrate and used for electrical and photocurrent measurements under controlled water-vapor exposure.

Bare zBNNR supercell used for first-principles band-structure calculations.

zBNNR with ordered edge-adsorbed water molecules used for first-principles band-structure and electrostatic-potential calculations.

hBN surface/edge adsorption model used to compare water adsorption energetics on the bulk surface versus the zigzag edge.

Materials

Why these are connected

Water induced bandgap engineering in nanoribbons of hexagonal boron nitride

Samples

Catalytically cut zigzag hBN nanoribbons prepared on an hBN substrate and used for electrical and photocurrent measurements under controlled water-vapor exposure.

Bare zBNNR supercell used for first-principles band-structure calculations.

zBNNR with ordered edge-adsorbed water molecules used for first-principles band-structure and electrostatic-potential calculations.

hBN surface/edge adsorption model used to compare water adsorption energetics on the bulk surface versus the zigzag edge.

Materials

Why these are connected

Growth

Characterization

Properties

Simulations

Growth

Characterization

Properties

Simulations

Growth

Characterization

Properties

Simulations

Growth

Characterization

Properties

Simulations