Chemical Physics Letters 695 (2018) 162–169 Contents lists available at ScienceDirect Chemical Physics Letters journal homepage: www.elsevier.com/locate/cplett Research paper Adsorption behavior of NH and NO molecules on stanene and stanane 3 2 nanosheets – A density functional theory study V. Nagarajan, R. Chandiramouli School of Electrical & Electronics Engineering, SASTRA Deemed University, Tirumalaisamudram, Thanjavur 613 401, India ar ti c l e i nf o ab stra ct Article history: Using density functional theory method, we investigate the adsorption properties of NH and NO mole- 3 2 Received 31 October 2017 cules on stanene and stanane nanosheets. The adsorption of molecules is explored based on the charge In ﬁnal form 7 February 2018 transfer, energetics, energy band gap and average energy gap variation. Moreover, the optimal adsorption Available online 8 February 2018 sites of NH and NO molecules are identiﬁed on stanene and stanane nanosheets. Besides, the state-of- 3 2 the-art provides the key features for the development of chemi-resistive nanosensor based on stanene Keywords: and stanane nanosheets upon adsorption of NH and NO molecules. Furthermore, the study shows that 3 2 Stanene adsorption of NO molecules is more prominent rather than NH molecules. 2 3 Stanane 2018 Elsevier
Chemical Physics Letters – Elsevier
Published: Mar 1, 2018
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