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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 118, 2020 - Issue 15
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Research Articles

First-principles perspectives on detection properties of sulphur mustard gas using novel electroresistive ϵ-Arsenene nanosheet device

R. BhuvaneswariSchool of Electrical & Electronics Engineering, SASTRA Deemed University, Tirumalaisamudram, IndiaView further author information
,
J. Princy MariaSchool of Electrical & Electronics Engineering, SASTRA Deemed University, Tirumalaisamudram, IndiaView further author information
,
V. NagarajanSchool of Electrical & Electronics Engineering, SASTRA Deemed University, Tirumalaisamudram, IndiaView further author information
&
R. ChandiramouliSchool of Electrical & Electronics Engineering, SASTRA Deemed University, Tirumalaisamudram, IndiaCorrespondence[email protected]
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Article: e1725671 | Received 17 Dec 2019, Accepted 16 Jan 2020, Published online: 13 Feb 2020

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V. Nagarajan, Kota Deepika, Baswa Swetha, Korni Manideep Reddy & R. Chandiramouli. (2022) δ-antimonene nanosheet as a sensing element for ethyl acetate and butyl acetate – a first-principles study. Molecular Physics 120:14.
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R. Bhuvaneswari, V. Nagarajan & R. Chandiramouli. (2021) Molecular interaction studies of cumene and toluene on δ-arsenene nanosheet – a first-principles outlook. Molecular Physics 119:3.
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Articles from other publishers (10)

Zygfryd Witkiewicz, Krzysztof Jasek & Michał Grabka. (2023) Semiconductor Gas Sensors for Detecting Chemical Warfare Agents and Their Simulants. Sensors 23:6, pages 3272.
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Vahidreza Darugar, Mohammad Vakili & Silvia Antonia Brandán. (2022) Electrical transport and NDR property on the cis–trans photo-isomerization of (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate as an optical molecular switch; A DFT-NEGF study. Chemical Physics Letters 803, pages 139818.
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Rong Zhou, Na Xu, Ranran Guo, Guixia Ling & Peng Zhang. (2021) Preparation of arsenene and its applications in sensors. Journal of Physics D: Applied Physics 55:16, pages 163002.
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J. Princy Maria, V. Nagarajan & R. Chandiramouli. (2021) First-principles studies on sensing properties of delta arsenene nanoribbons towards hexane and heptane molecules. Computational and Theoretical Chemistry 1201, pages 113256.
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Sundus Irshad, Faizan Ullah, Saima Khan, Ralf Ludwig, Tariq Mahmood & Khurshid Ayub. (2021) First row transition metals decorated boron phosphide nanoclusters as nonlinear optical materials with high thermodynamic stability and enhanced electronic properties; A detailed quantum chemical study. Optics & Laser Technology 134, pages 106570.
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R. Bhuvaneswari, V. Nagarajan & R. Chandiramouli. (2021) Chemisorption of Heptachlor and Mirex molecules on beta arsenene nanotubes – A first-principles analysis. Applied Surface Science 537, pages 147835.
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R. Bhuvaneswari, V. Nagarajan & R. Chandiramouli. (2020) Interaction properties of phenol and styrene from plastic fumes on β-Arsenene sheets: A first-principles study. Physica B: Condensed Matter 597, pages 412405.
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R. Bhuvaneswari, V. Nagarajan & R. Chandiramouli. (2020) DFT Outlook on Surface Adsorption Properties of Nitrobenzene on Novel Red Tricycle Arsenene Nanoring. Journal of Inorganic and Organometallic Polymers and Materials 30:11, pages 4329-4341.
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Jie Hu, Wen Xiong, Pu Huang, Yin Wang, Congzhong Cai & Jianwei Wang. (2020) First-principles study on strain-modulated negative differential resistance effect of in-plane device based on heterostructure tellurene. Applied Surface Science 528, pages 146957.
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Guoliang Wang, Jiye Zhang, Jibin Yang & Yan Wang. (2020) Tuning the structural, electronic and adsorption properties of Au-embedded 2D WSe2 and Arsenene nanosheets: A DFT study. Computational and Theoretical Chemistry 1186, pages 112913.
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