Proceedings of the First International Conference on Advances in Computer Vision and Artificial Intelligence Technologies (ACVAIT 2022)

<Previous Article In Volume
Next Article In Volume>

Adsorption Study of Carbon Monoxide on Modified Metal and Non-metallic Surface Using Density Functional Theory: A Short Review Towards Functional Materials

Authors
Amogh A. Sambare1, *, Kunal P. Datta1, Mahendra D. Shirsat2, Bharti W. Gawali1, 3, Ramkisan S. Pawar4
1Deen Dayal Upadhyay KAUSHAL Kendra, Dr. Babasaheb Ambedkar Marathwada University, Aurangabad, Maharashtra, India
2RUSA Centre for Advance Sensor Technology, Department of Physics, Dr. Babasaheb Ambedkar Marathwada University, Aurangabad, Maharashtra, India
3Department of Computer Science and Information Technology, Dr. Babasaheb Ambedkar Marathwada University, Aurangabad, Maharashtra, India
4Shreeyash College of Engineering and Technology, Aurangabad, Maharashtra, India
*Corresponding author. Email: amoghsambare@gmail.com
Corresponding Author
Amogh A. Sambare
Available Online 10 August 2023.
DOI
10.2991/978-94-6463-196-8_34How to use a DOI?
Keywords
DFT; Carbon Monoxide; Functional Materials
Abstract

Carbon Monoxide is an established pollutant with high indexed hazard potential for human being and environment and its omnipresence in indoor and outdoor air, has garnered specific research interest for real time detection of the same at trace level of existence. Extensive spectrum of research for development of Carbon Monoxide sensors are therefore being carried out and pursuit for efficient and smart materials constitute the core of such research efforts. The most common technique of sensing these gas molecules is to detect them with various adsorption materials, such as metal, semi-conductor metal oxides like MnO2, MoS2, and carbon-based materials, among others. Doping transition metal atoms in adsorbent materials has also been shown to be beneficial in the gas adsorption process. In order to have a predictive command over development of smart functional materials for detection of Carbon Monoxide, the Density Function Theory calculation is still a time-tested tool for analyzing the adsorption properties of pollutant molecules on various materials at the microscale levels to comprehend adsorptive reactions, adsorbents reactivity, and structure activity relationships, that can provide theoretical guidance for scientific experiments. This review presents the adsorption models and surface properties of CO gas molecules on metal and nonmetallic surfaces by Density Function Theory calculations in recent years. This review opens up the theoretical background for DFT based molecular adsorption studies and some of the recent reports of research pertinence.

Copyright
© 2023 The Author(s)
Open Access
Open Access This chapter is licensed under the terms of the Creative Commons Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/), which permits any noncommercial use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license and indicate if changes were made.

Download article (PDF)

<Previous Article In Volume
Next Article In Volume>
Volume Title
Proceedings of the First International Conference on Advances in Computer Vision and Artificial Intelligence Technologies (ACVAIT 2022)
Series
Advances in Intelligent Systems Research
Publication Date
10 August 2023
ISBN
978-94-6463-196-8
ISSN
1951-6851
DOI
10.2991/978-94-6463-196-8_34How to use a DOI?
Copyright
© 2023 The Author(s)
Open Access
Open Access This chapter is licensed under the terms of the Creative Commons Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/), which permits any noncommercial use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license and indicate if changes were made.

Cite this article

risenwbib
TY  - CONF
AU  - Amogh A. Sambare
AU  - Kunal P. Datta
AU  - Mahendra D. Shirsat
AU  - Bharti W. Gawali
AU  - Ramkisan S. Pawar
PY  - 2023
DA  - 2023/08/10
TI  - Adsorption Study of Carbon Monoxide on Modified Metal and Non-metallic Surface Using Density Functional Theory: A Short Review Towards Functional Materials
BT  - Proceedings of the First International Conference on Advances in Computer Vision and Artificial Intelligence Technologies (ACVAIT 2022)
PB  - Atlantis Press
SP  - 442
EP  - 458
SN  - 1951-6851
UR  - https://doi.org/10.2991/978-94-6463-196-8_34
DO  - 10.2991/978-94-6463-196-8_34
ID  - Sambare2023
ER  -