A novel two-dimensional beryllium diphosphide (BeP<sub>2</sub>) with superconductivity: the first-principles exploration

Li, Hengtao; Wang, Hongyan; Luo, Yan; Li, Xiumei; Chen, Yuanzheng; Wang, Hui

doi:10.1039/d0cp05230b

Cited by 10 publications

(3 citation statements)

References 53 publications

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“…After structural optimizations, the lattice constant of the penta-BeP 2 monolayer is 5.19 Å, which is consistent with previous reports. 17,18 As shown in Figure 1a, all possible adsorption sites are marked in a 3 × 3 × 1 supercell of the penta-BeP 2 monolayer for the gas molecules (CO, NH 3 , NO, NO 2 , H 2 , N 2 , H 2 O, O 2 , and CO 2 ), including H (hollow), T1 (top of the sublayer P atom), T2 (top of the Be atom), T3 (top of the top layer P atom), B1 (bridge of the Be−P bond), and B2 (bridge of the P−P bond). In addition, all possible orientations of gas molecules concerning the adsorption sites are considered in the initial configurations; for instance, polar molecules (e.g., CO) possess three initial configurations and nonpolar molecules (e.g., O 2 ) possess two initial configurations.…”

Section: Resultsmentioning

confidence: 99%

“…Meanwhile, Wang et al have proposed three new 2D BeP 2 allotropes; among them, the penta-BeP 2 monolayer possesses a lower formation energy and better dynamical and thermal stability compared to those of the plane-BeP 2 monolayer. Particularly significantly, the penta-BeP 2 monolayer is a semiconductor with a suitable bandgap of 0.80 eV and is suitable for gas-sensing materials. , Hence, we deduce that the penta-BeP 2 monolayer might exhibit gas-sensing properties that are better than those of the plane-BeP 2 monolayer.…”

Section: Introductionmentioning

confidence: 86%

“…Particularly significantly, the penta-BeP 2 monolayer is a semiconductor with a suitable bandgap of 0.80 eV and is suitable for gassensing materials. 17,18 Hence, we deduce that the penta-BeP 2 monolayer might exhibit gas-sensing properties that are better than those of the plane-BeP 2 monolayer.…”

Section: Introductionmentioning

confidence: 87%

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Penta-BeP₂ Monolayer: A Superior Sensor for Detecting Toxic Gases in the Air with Excellent Sensitivity, Selectivity, and Reversibility

Jiang

Zhang

et al. 2022

ACS Appl. Mater. Interfaces

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Directly and quickly detecting toxic gases in the air is urgently needed in industrial production and our daily life. However, the poor gas selectivity and low sensitivity under ambient conditions limit the development of gas sensors. In this work, we demonstrate that the penta-BeP2 monolayer is an excellent toxic gas sensor by using first-principles calculations. The calculated results show that the semiconducting penta-BeP2 monolayer can chemisorb toxic gas molecules (including CO, NH3, NO, and NO2) with distinct charge transfer (−0.182 to 1.129 e) but negligibly interact with ambient gas molecules (including H2, N2, H2O, O2, and CO2), indicating high gas selectivity for primary environmental gases. The calculated I–V curves show that the penta-BeP2 monolayer exhibits a fast response with toxic gas molecules. Upon interaction with CO, NH3, NO, and NO2 molecules at a bias voltage of 0.7 V, the currents are 10.23, 14.48, 32.10, and 129.90 times that of the pristine penta-BeP2 monolayer, respectively, which induces high sensitivity values of 9.23, 13.48, 31.10, and 128.90, respectively. Moreover, the moderate adsorption energies of all toxic gas molecules guarantee that the penta-BeP2 monolayer possesses good reversibility at room temperature with a short recovery time. Herein, all of our results indicate that the penta-BeP2 monolayer could be a superior candidate for sensing toxic gases with high selectivity, sensitivity, and reversibility.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 86%

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Penta-BeP₂ Monolayer: A Superior Sensor for Detecting Toxic Gases in the Air with Excellent Sensitivity, Selectivity, and Reversibility

Jiang

Zhang

et al. 2022

ACS Appl. Mater. Interfaces

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Recent progress in electron–phonon interaction of two‐dimensional materials

Bai

et al. 2022

Nano Select

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The coupling between electrons and phonons is ubiquitous in condensed matter physics. In recent years, with the rise of two dimensional (2D) materials, electron–phonon interaction exhibits unique characteristics compared with their three‐dimensional counterparts. In this paper, research progress of electron–phonon interaction in 2D materials is briefly reviewed, mainly focus on thermoelectric device, conventional superconductor, field effect transistor, and photoelectric device. Firstly, electron–phonon interaction on thermoelectric application of 2D materials is concluded according to recent reports, and strategies to increase figure of merit are discussed. Next, strong electron–phonon coupling strength is essential for increasing transition temperature of superconductors. Conversely, electron–phonon interaction inhibits the carrier mobility for transport process. By summarizing research works in the past years, its role on the performance of 2D materials‐based field effect transistors is fully evaluated. Furthermore, the influences of electron–phonon interaction on light–matter interaction in 2D materials are briefly overviewed. Finally, some outlooks in the field are prospected. In a word, understanding electron–phonon interaction in 2D materials establishes strategically important directions for manipulating physical properties and optimizing device design.

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Linear and elliptical photogalvanic effects in two-dimensional penta-BP5 photodetector

Fu,

Liang,

Lin

et al. 2024

Appl. Phys. A

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A novel two-dimensional beryllium diphosphide (BeP₂) with superconductivity: the first-principles exploration

Abstract: In this work, three stable two-dimensional beryllium diphosphide (2D-BeP2) structures with the wrinkle and planar monolayers, namely, MoS2-like6m-BeP2 phase (1H-BeP2), Pentagonal42m-BeP2 (Penta-BeP2) and Planar mm2-BeP2 (Planar-BeP2), have been successfully predicted...

Cited by 10 publications

References 53 publications

Penta-BeP₂ Monolayer: A Superior Sensor for Detecting Toxic Gases in the Air with Excellent Sensitivity, Selectivity, and Reversibility

Penta-BeP₂ Monolayer: A Superior Sensor for Detecting Toxic Gases in the Air with Excellent Sensitivity, Selectivity, and Reversibility

Recent progress in electron–phonon interaction of two‐dimensional materials

Linear and elliptical photogalvanic effects in two-dimensional penta-BP5 photodetector

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A novel two-dimensional beryllium diphosphide (BeP2) with superconductivity: the first-principles exploration

Abstract: In this work, three stable two-dimensional beryllium diphosphide (2D-BeP2) structures with the wrinkle and planar monolayers, namely, MoS2-like6m-BeP2 phase (1H-BeP2), Pentagonal42m-BeP2 (Penta-BeP2) and Planar mm2-BeP2 (Planar-BeP2), have been successfully predicted...

Cited by 10 publications

References 53 publications

Penta-BeP2 Monolayer: A Superior Sensor for Detecting Toxic Gases in the Air with Excellent Sensitivity, Selectivity, and Reversibility

Penta-BeP2 Monolayer: A Superior Sensor for Detecting Toxic Gases in the Air with Excellent Sensitivity, Selectivity, and Reversibility

Recent progress in electron–phonon interaction of two‐dimensional materials

Linear and elliptical photogalvanic effects in two-dimensional penta-BP5 photodetector

Contact Info

Product

Resources

About

A novel two-dimensional beryllium diphosphide (BeP₂) with superconductivity: the first-principles exploration

Penta-BeP₂ Monolayer: A Superior Sensor for Detecting Toxic Gases in the Air with Excellent Sensitivity, Selectivity, and Reversibility

Penta-BeP₂ Monolayer: A Superior Sensor for Detecting Toxic Gases in the Air with Excellent Sensitivity, Selectivity, and Reversibility