Band engineering of Dirac materials in Sb<sub>m</sub>Bi<sub>n</sub> lateral heterostructures

Liu, Yonghui

doi:10.1039/d1ra02702f

Cited by 2 publications

(1 citation statement)

References 60 publications

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“…Meanwhile, it is also limited by weak electron transmission between stacking layers [21][22][23]. The lateral heterostructures (LHSs) [24][25][26] are connected by covalent bonds, ensuring electron transmission performance. The LHSs have been designed or fabricated for photodetection and gas-sensing because of their advantages of more vital chemical interaction and exposed active interfaces.…”

Section: Introductionmentioning

confidence: 99%

NO2 Adsorption Sensitivity Adjustment of As/Sb Lateral Heterojunctions through Strain: First Principles Calculations

Yang,

Wang,

Fang

et al. 2023

Crystals

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Strain engineering is an effective way to adjust the sensing properties of two-dimensional materials. In this paper, lateral heterojunctions (LHSs) based on arsenic and antimony have been designed along the armchair (AC) or zigzag (ZZ) edges. The adsorption and sensing characteristics of As/Sb LHSs to NO2 before and after applying different types of strain are calculated by first principles. The band gaps of all As/Sb heterostructures are contributed by As-p and Sb-p orbitals. In addition, the adsorption energy of As/Sb ZZ-LHS with −4% compression strain is the largest. Furthermore, its work function changes significantly before and after the adsorption of NO2. Meanwhile, strong orbital hybridizations near the Fermi level are observed and a new state is yielded after applying compressive strain. These results indicate that the As/Sb LHS with ZZ interface under −4% compression strain possesses the best sensing properties to NO2. This work lays the foundation for the fabrication of high-performance NO2 gas sensors. High-performance gas sensors can be used to track and regulate NO2 exposure and emission, as well as to track NO2 concentrations in the atmosphere and support the assessment of air quality.

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Section: Introductionmentioning

confidence: 99%

NO2 Adsorption Sensitivity Adjustment of As/Sb Lateral Heterojunctions through Strain: First Principles Calculations

Yang,

Wang,

Fang

et al. 2023

Crystals

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Adsorption of gas molecules on monolayer As/Sb lateral heterostructures investigated by first principles

Zhang,

Fang

et al. 2023

Surface Science

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Band engineering of Dirac materials in Sb_mBi_n lateral heterostructures

Abstract: Band engineering the electronic structures of SbmBin lateral heterostructures (LHS) from antimonene and bismuthene is systematically investigated using first principles calculations.

Cited by 2 publications

References 60 publications

NO2 Adsorption Sensitivity Adjustment of As/Sb Lateral Heterojunctions through Strain: First Principles Calculations

NO2 Adsorption Sensitivity Adjustment of As/Sb Lateral Heterojunctions through Strain: First Principles Calculations

Adsorption of gas molecules on monolayer As/Sb lateral heterostructures investigated by first principles

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Band engineering of Dirac materials in SbmBin lateral heterostructures

Abstract: Band engineering the electronic structures of SbmBin lateral heterostructures (LHS) from antimonene and bismuthene is systematically investigated using first principles calculations.

Cited by 2 publications

References 60 publications

NO2 Adsorption Sensitivity Adjustment of As/Sb Lateral Heterojunctions through Strain: First Principles Calculations

NO2 Adsorption Sensitivity Adjustment of As/Sb Lateral Heterojunctions through Strain: First Principles Calculations

Adsorption of gas molecules on monolayer As/Sb lateral heterostructures investigated by first principles

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Band engineering of Dirac materials in Sb_mBi_n lateral heterostructures