Two-dimensional PdPS and PdPSe nanosheets

Novel promising sensing platforms for harmful gas molecules

authored by

Aref Aasi, Bohayra Mortazavi, Balaji Panchapakesan

Abstract

Motivated by the latest experimental advances in the fabrication of penta-PdPS and penta-PdPSe layered materials, in this work we theoretically explore the PdPS and PdPSe monolayers as novel platforms for the detection of harmful gas molecules, including CO, CO₂, NH₃, NO, and NO₂. We found that PdPS and PdPSe monolayers are stable semiconductors. Next, we systematically assessed the most favorable adsorption configurations and examined the electronic properties of gas-adsorbed PdPS/PdPSe monolayers. It is manifested that CO, CO₂, and NH₃ gas molecules are physisorbed on the PdPS, and PdPSe monolayers, while upon the adsorption of NO, and NO₂, the electronic structure changes significantly. It is moreover realized that after adsorption of NO, and NO₂, respectively, over the PdPS monolayers energies of 0.98, 1.01 eV are released, and over PdPSe energies of 1.12, and 1.21 eV are emitted. According to calculated recovery time, the PdPS platform yields a quick recovery after exposure to NO, and NO₂ with times of 4.33 and 11.9 s, respectively, at room temperature and under UV light. PdPSe monolayers exhibits a recovery time of 1.74 s at 498 K and under visible light after interaction with NO₂. Our study results suggest that PdPS and PdPSe nanosheets are eminently promising for detecting NO₂ molecule.

Organisation(s)

Institute of Photonics
Faculty of Mathematics and Physics
PhoenixD: Photonics, Optics, and Engineering - Innovation Across Disciplines

External Organisation(s)

Worcester Polytechnic Institute

Type

Article

Journal

Applied surface science

Volume

579

ISSN

0169-4332

Publication date

30.03.2022

Publication status

Published

Peer reviewed

Yes

ASJC Scopus subject areas

Chemistry(all), Condensed Matter Physics, Physics and Astronomy(all), Surfaces and Interfaces, Surfaces, Coatings and Films

Electronic version(s)

https://doi.org/10.1016/j.apsusc.2021.152115 (Access: Closed)