Highly sensitive work function type room temperature gas sensor based on Ti doped hBN monolayer for sensing CO<sub>2</sub>, CO, H<sub>2</sub>S, HF and NO. A DFT study-Reference-Cited by-同舟云学术

Highly sensitive work function type room temperature gas sensor based on Ti doped hBN monolayer for sensing CO₂, CO, H₂S, HF and NO. A DFT study

Published:2022 Issue:53 Volume:12 Page:34185-34199
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Kalwar Basheer Ahmed¹²^ORCID,Fangzong Wang¹^ORCID,Soomro Amir Mahmood³,Naich Muhammad Rafique⁴⁵,Saeed Muhammad Hammad¹^ORCID,Ahmed Irfan²

Affiliation:

1. College of Electrical Engineering and New Energy, China Three Gorges University (CTGU), Yichang 443002, China

2. Department of Electrical Engineering, Mehran University of Engineering and Technology, SZAB Campus, Khairpur Mirs 66020, Pakistan

3. Department of Electrical Engineering, Mehran University of Engineering and Technology, Jamshoro 76062, Pakistan

4. Department of Electronic Engineering, Mehran University of Engineering and Technology, SZAB Campus, Khairpur Mirs 66020, Pakistan

5. School of Energy Science and Engineering, Harbin Institute of Technology, 92 West Dazhi Street, Harbin 150001, China

Abstract

The adsorptions of toxic gas molecules (CO2, CO, H2S, HF and NO) on pristine and Ti atom doped hexagonal boron nitride (hBN) monolayer are investigated by density functional theory. Ti atom doping significantly enhances the adsorption ability.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2022/RA/D2RA06307G

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