DFT Study on the Interaction Properties of V-Series Nerve Agent Molecules on Novel Bismuthene Nanotubes

Bhuvaneswari, R.; Maria, J. Princy; Nagarajan, V.; Chandiramouli, R.

doi:10.1007/s10904-019-01181-5

Cited by 22 publications

(3 citation statements)

References 67 publications

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“…The mobility could reach several thousand cm 2 (V −1 s −1 ) because of the long mean free path of the carriers. [103,269,270] In addition, bismuthene shows excellent photoluminescence property and enhanced photothermal effect. [270,272] Based on these outstanding properties and enhanced long-term stability, bismuthene has been applied in various optical and photoelectronic devices such as ultrafast pulse generators, all-optical switchers, AOMs, highperformance photodetectors, and optical limiters.…”

Section: Bismuthenementioning

confidence: 99%

“…[103,269,270] In addition, bismuthene shows excellent photoluminescence property and enhanced photothermal effect. [270,272] Based on these outstanding properties and enhanced long-term stability, bismuthene has been applied in various optical and photoelectronic devices such as ultrafast pulse generators, all-optical switchers, AOMs, highperformance photodetectors, and optical limiters. [266][267][268][269]273,274] It has been theoretically predicted and experimentally verified that bismuthene can host a 2D TI state.…”

Section: Bismuthenementioning

confidence: 99%

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2D Xenes: Optical and Optoelectronic Properties and Applications in Photonic Devices

Liu

Yin

et al. 2022

Adv Funct Materials

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In recent years, tremendous attention has been paid to the investigation of single-element 2D materials. These 2D materials mainly consist of elements from group IV and group V such as silicene, phosphorene, and antimonene. Together with other four elements from groups III and VI, they are classified as 2D Xenes and exhibit rich optical and optoelectronic properties such as broadband optical response, strong nonlinearity, ultrafast recovery time, and layer-dependent bandgap. 2D Xenes can be easily integrated with microfibers and other optical platforms. On the basis of their attracting characteristics, 2D Xenes have been utilized in various functional devices. In this review, the optical and optoelectronic properties of the most intensively studied 2D Xenes are introduced. Their applications in photonic devices including all-optical modulators, wavelength converters, ultrafast lasers, and photodetectors are explicitly explored. Finally, the challenges and future perspectives of photonic devices based on 2D Xenes are discussed.

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Section: Bismuthenementioning

confidence: 99%

Section: Bismuthenementioning

confidence: 99%

2D Xenes: Optical and Optoelectronic Properties and Applications in Photonic Devices

Liu

Yin

et al. 2022

Adv Funct Materials

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“…Moreover, for NO 2 concentration of 5, 10, 20, and 40 ppb, the conduction of black phosphorene change happens, which follows Langmuir isotherm. Besides, we have reported the sensing properties of various types of phosphorene base material towards gas/vapors …”

Section: Introductionmentioning

confidence: 99%

Computational Studies on the Interaction of Formaldehyde Vapor with δ‐Phosphorene Nanosheet: A DFT Insight

2020

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We investigated the electronic properties and the structural firmness of δ‐phosphorene nanosheet (δ‐P) based on density functional theory. δ‐P shows semiconductor nature with a band gap of 0.363 eV. We used δ‐P sheets to adsorb formaldehyde vapors. The adsorption energy infers the physisorption type of interaction between formaldehyde and δ‐P. The charge transfer analysis reveals that δ‐P acts as acceptor of electrons. The density of state spectrum and band structure maps shows the variation in the energy bandgap of δ‐P, which results from the adsorption of formaldehyde. Also, a noticeable variation in the electron densities has been observed due to formaldehyde interaction with δ‐P. Thus, the result shows that δ‐P sheets can be used as a base substrate for formaldehyde vapors.

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Interaction Studies of Methanol and Ethanol Vapors on Green Phosphorene Sheets: A First‐Principles Study

2019

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The electronic and adsorption properties of methanol & ethanol on green phosphorene nanosheets (GP‐NS) are explored using first‐principles studies. We confirmed the stable structure of GP‐NS using formation energy, which is recorded as −3.72 eV/atom. We studied the adsorption energy of methanol and ethanol vapors on GP‐NS that are noted to be exothermic. Also, the charge transfer shows that charge transfer takes place between alcohol molecules and GP‐NS. The semiconducting nature of GP‐NS is noticed from our calculation. The change in the energy gap is observed owing to the adsorption of the ethanol & methanol vapors on GP‐NS. The results of this report reveal that GP‐NS is a capable base substrate for detecting alcohol vapors. The present report will lay new in‐roads for the usage of GP‐NS as chemical sensor.

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DFT Study on the Interaction Properties of V-Series Nerve Agent Molecules on Novel Bismuthene Nanotubes

Cited by 22 publications

References 67 publications

2D Xenes: Optical and Optoelectronic Properties and Applications in Photonic Devices

2D Xenes: Optical and Optoelectronic Properties and Applications in Photonic Devices

Computational Studies on the Interaction of Formaldehyde Vapor with δ‐Phosphorene Nanosheet: A DFT Insight

Interaction Studies of Methanol and Ethanol Vapors on Green Phosphorene Sheets: A First‐Principles Study

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