Tuning the band gap and effective mass of black arsenic phosphide monolayer by in-plane strain

Mao, Yuliang; Yao, Zihua; Wu, Runlin; Zhou, Xing; Du, Yuting

doi:10.1088/2053-1591/ac569f

Cited by 4 publications

(5 citation statements)

References 51 publications

(52 reference statements)

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“…Most of the group VA monolayers have small effective masses of charge carries according to the HSE06 results, which match the previous results. For example, the calculated effective masses of α-P are similar to the reported values, − which validates the method used in this study. The effective masses of α-group VA monolayers are also close to the reported by Cheng et al Cheng et al theoretically predicted an exceptionally high hole mobility of 2D β-Sb.…”

Section: Results and Discussionsupporting

confidence: 86%

First-Principles Study of Group VA Monolayer Passivators for Perovskite Solar Cells

Allen

Kang

Wang

2023

ACS Appl. Nano Mater.

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With the increasing energy demands, the production of high-performance perovskite solar cells at economic cost is favorable. However, there are limitations to their commercial applications due to defect formation and instability. Passivation technologies help support their desirable traits. Recently, experiments have proven nanoscale group VA monolayers to be good passivator candidates. Simulated by these recent results, we applied density functional theory to systematically investigate the structural, electronic, optical, and mechanical properties of α and β phases of group VA monolayers, including phosphorene, arsenene, antimonene, and bismuthene in this project. The theoretical results reveal the following: (1) α-phosphorene and β-arsenene have ideal valence band maximum locations, while all monolayers have ideal conduction band minimum locations for enhancing open-circuit potential; (2) most monolayers have light effective masses for improving short-circuit current densities; (3) the location of passivators is important due to their high absorption coefficients; and (4) α-arsenene, α-bismuthene, and α-antimonene are ductile, which can potentially be used in flexible solar cells. Overall, theoretical insights suggest that α-phosphorene and both α- and β-arsenene are promising passivators with the consideration of all the electronic, optical, and mechanical properties.

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Section: Results and Discussionsupporting

confidence: 86%

First-Principles Study of Group VA Monolayer Passivators for Perovskite Solar Cells

Allen

Kang

Wang

2023

ACS Appl. Nano Mater.

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“…The physical mechanism of charge transport through the b‐As/SnS 2 vdW heterostructure is explained by the energy‐band diagram. The energy gap ( E g ) and electron affinity ( Φ ) of few‐layer thick pristine b‐As were measured at 0.3 and 4.4 eV, respectively, from the vacuum level, [ 30 , 36 , 37 ] whereas the energy gap and electron affinity of few‐layer thick pristine SnS 2 were recorded at 2.24 and 5.06 eV, respectively. [ 38 , 39 , 40 , 41 ] Before the formation of the vdW heterostructure, the Fermi levels of b‐As and SnS 2 lie near the valence and conduction bands, respectively.…”

Section: Resultsmentioning

confidence: 99%

Low‐Power Negative‐Differential‐Resistance Device for Sensing the Selective Protein via Supporter Molecule Engineering

et al. 2022

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Van der Waals (vdW) heterostructures composed of atomically thin two‐dimensional (2D) materials have more potential than conventional metal‐oxide semiconductors because of their tunable bandgaps, and sensitivities. The remarkable features of these amazing vdW heterostructures are leading to multi‐functional logic devices, atomically thin photodetectors, and negative differential resistance (NDR) Esaki diodes. Here, an atomically thin vdW stacking composed of p‐type black arsenic (b‐As) and n‐type tin disulfide (n‐SnS2) to build a type‐III (broken gap) heterojunction is introduced, leading to a negative differential resistance device. Charge transport through the NDR device is investigated under electrostatic gating to achieve a high peak‐to‐valley current ratio (PVCR), which improved from 2.8 to 4.6 when the temperature is lowered from 300 to 100 K. At various applied‐biasing voltages, all conceivable tunneling mechanisms that regulate charge transport are elucidated. Furthermore, the real‐time response of the NDR device is investigated at various streptavidin concentrations down to 1 pm, operating at a low biasing voltage. Such applications of NDR devices may lead to the development of cutting‐edge electrical devices operating at low power that may be employed as biosensors to detect a variety of target DNA (e.g., ct‐DNA) and protein (e.g., the spike protein associated with COVID‐19).

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“…The calculations show that, on the one hand, the AsP monolayer exhibits a strong anisotropy, with a stronger elastic deformation capacity along the zigzag direction than along the armchair direction. On the other hand, the effective mass can be significantly adjusted by strain; especially at 7% compressive strain, the hole effective mass under both directions decreases rapidly and there is also a small reduction in the electron effective mass, which can significantly increase the α-AsP carrier mobility [66].…”

Section: Configuration Regulationmentioning

confidence: 99%

“…Variation of the effective mass of α-AsP (g) electrons and (h) holes with strain. Reproduced from[66]. © IOP Publishing Ltd. CC BY 3.0.…”

mentioning

confidence: 99%

Recent advances in stable arsenic–phosphorus: preparation, properties, and application

Liu¹,

Xue²,

Yu³

et al. 2022

J. Phys. D: Appl. Phys.

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Two-dimensional (2D) arsenic–phosphorus (AsP), as a derivative of black phosphorus (BP), has achieved great progress in regards to preparation methods, property modulation, and front application, which can be attributed to the following two points. The first is that a method has been developed of alloying BP with the congener element arsenic to produce high-quality AsP; the second is that stable AsP possesses unique electronic and optical properties. To conclude the continuous and extensive research, this review focuses on synthesis details, modulation strategies, and application advances of stable AsP. Firstly, several pathways to prepare AsP with different phases are listed. Secondly, multiple solutions to optimize the electronic properties of AsP are discussed, such as strain regulation and composition tuning, and especially composition tuning of AsP including element modification, atomic substitution, and dopant participation, which can bring about adjustments of the lattice structure, bandgaps, and electronic properties. Based on the regulated AsP, applications in infrared photodetectors, high-performance transistors, and efficient-energy storage devices and so on have been widely developed. Although there are challenges ahead, this review may bring new insights into and inspirations for further development of 2D AsP-based materials and devices.

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Tuning the band gap and effective mass of black arsenic phosphide monolayer by in-plane strain

Cited by 4 publications

References 51 publications

First-Principles Study of Group VA Monolayer Passivators for Perovskite Solar Cells

First-Principles Study of Group VA Monolayer Passivators for Perovskite Solar Cells

Low‐Power Negative‐Differential‐Resistance Device for Sensing the Selective Protein via Supporter Molecule Engineering

Recent advances in stable arsenic–phosphorus: preparation, properties, and application

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