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Abstract
In the present study, two-dimensional (2-D) pristine and distorted hexagonal Zig-Zag Boron Nitride nano-ribbon (h-BNNR) has been used as a gas sensing material to detect Nitrogen dioxide (NO2). Distorted structures such as Al-doped, P-doped, and Stone–Wales defected structures are considered here as an electro-sensing material. The First principle density functional theory (DFT) computations-based ab initio approach has been used to investigate the electrochemical properties of pristine and distorted h-ZBNNR in presence of NO2. Upon NO2 adsorption, the conduction band/valance band and energy gap of the ribbon are decreased significantly. An increase in the transmission of electrons has been observed in increasing the bias voltage. Extensive simulations using Quantum wise have been done to validate the efficacy of the proposed gas sensor.
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No potential conflict of interest was reported by the author(s).
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Notes on contributors
Suman Sarkar
Suman Sarkar completed his BTech from Guru Nanak Institute of Technology and MTech from Institute of Engineering & Management. He is pursuing PhD in MAKAUT. Currently, he is working as an assistant professor at the Institute of Engineering and Management, Kolkata. E-mail: [email protected]
Papiya Debnath
Papiya Debnath completed PhD in applied mathematics from the University of Calcutta in 2019. Presently, she is working as an associate professor in the Department of Basic Science and Humanities (Mathematics), at Techno International New Town (under Techno India Group), Kolkata, India. She has almost 13 years of experience in teaching, research, and administration. She has published more than 20 papers in national, international journals and conference proceedings. Presently, she is serving as a guest editor of the journal WSEAS Transactions on Mathematics. She chaired different international conferences in India. Her research interest mathematical modelling and simulation, mathematical computing, earthquake prediction, machine learning and data science. She is active in reviewing open mathematics- De Gruyter, Geomate, Circuit World, and many other journals. Recently, she is actively engaged with a few IEEE conferences in IEEE R10 regions. E-mail: [email protected]
Debashis De
Debashis De is a professor of Department of Computer Science and Engineering of MAKAUT, WB, India. He received MTech from the University of Calcutta, 2002 and PhD from Jadavpur University in 2005. He is senior member, IEEE, fellow IETE, life member CSI. He was awarded the prestigious Boyscast Fellowship by the Department of Science and Technology, Government of India, to work at the Heriot-Watt University, Scotland, UK. He received the Endeavour Fellowship Award from 2008–2009 by DEST Australia to work at the University of Western Australia. He received the Young Scientist award both in 2005 at New Delhi and in 2011 in Istanbul, Turkey, from the International Union of Radio Science, Belgium. In 2016 he received the JC Bose research award by IETE, New Delhi. In 2019 he received Shiksha Ratna Award by the Govt of West Bengal. He established the Center of Mobile Cloud Computing (CMCC) for IoT applications. He is vice-chair of Dew Computing STC of IEEE Computer Society. He published 320 papers in journals and 200 conference, fifteen books, and filed ten patents. His h index is 33, citation 5400. Listed in Top 2% Scientist List of the world, Stanford University, USA. His research interest is edgeAI, IoT, and quantum computing. E-mail: [email protected]
Manash Chanda
Manash Chanda completed PhD in engineering from ETCE Dept., Jadavpur University in 2018. At present, he is working as an associate professor in the Department of ECE, Meghnad Saha Institute of Technology since February 2006. He is a senior member of IEEE and is currently a member of the IEEE Electron Device Society and Solid-State Circuit Society. He is co-founder of the IEEE Student Branch and ED MSIT Student Branch Chapter. At present, he is the chapter advisor of the ED Meghnad Saha Institute of Technology Student Branch Chapter. Also, he is the Chairman of the IEEE EDS Kolkata Chapter. His current research interest spans the study of analytical modeling of nano-dimensional device modeling, low power VLSI designs, SPICE modeling of nano-scale devices, bio-sensors, gas sensors, AI/ML-VLSI etc. He published papers in journals like IEEE TED, IEEE VLSI, IEEE TNANO, Elsevier, IET, Springer, Wiley, to name a few. He is the reviewer of international journals and conferences like IEEE TCAS, IEEE TVLSI, IEEE TED, Solid State Circuits (Elsevier), Journal of Computational Electronics (Springer), Journal of Numerical Modeling: (Wiley), Journal of Electronics (Taylor and Francis) etc. He is the recipient of University Gold medal in MTech from Jadavpur University in 2008. One of his projects was selected in Top 10 VLSI project design category (including B Tech and MTech) in all over India, organized by Cadence Design Contest, Bangalore India in 2010. He has organized IEEE VLSI DCS 2020, IEEE EDKCON 2018 as general chair/co-chair. He also delivered 12 IEEE Technical talks in different IEEE conferences, seminars and FDPs. Corresponding author. E-mail: [email protected]