Nitrogen Dioxide Gas Sensor Based on Monolayer SnS: A First-Principle Study

Hu, Fa-Fei; Tang, H.; Ye, H.; Chen, X.; Zhang, Kouchi

doi:10.1109/LED.2017.2709247

Nitrogen Dioxide Gas Sensor Based on Monolayer SnS

Title

Nitrogen Dioxide Gas Sensor Based on Monolayer SnS: A First-Principle Study

Author

Hu, Fa-Fei (Chongqing University; Ministry of Education of the People's Republic of China)
Tang, H. (TU Delft Electronic Components, Technology and Materials)
Ye, H. (Chongqing University)
Chen, X. (Chongqing University)
Zhang, Kouchi (TU Delft Electronic Components, Technology and Materials)

Date

2017

Abstract

The sensing behavior of monolayer tin sulfide (SnS) for four gas molecules (NH₃, NO₂, CO, and H₂O) are studied by the first-principle calculation based on density-functional theory. We calculate adsorption energy, adsorption distance, and Hirshfeld charge to estimate the adsorption ability of monolayer SnS for these gas molecules. The results demonstrate that all the gas molecules show physisorption nature. We further calculate the current-voltage (I -V ) curves using the nonequilibrium Green's function formalism for evaluating the NO₂ gas sensing properties. The monolayer SnS is found to be strongly sensitive to NO₂ molecule dependent on moderate adsorption energy, excellent charge transfer, and significant change of I -V property before and after gas adsorption. Therefore, we suggest that monolayer SnS can be a prominent candidate for application as NO₂ gas sensor.

Subject

Density-functional theory
gas sensor
monolayer SnS
nitrogen dioxide

To reference this document use:

http://resolver.tudelft.nl/uuid:56f69cad-2ff3-41c6-bd68-0a60066eb056

DOI

https://doi.org/10.1109/LED.2017.2709247

ISSN

0741-3106

Source

IEEE Electron Device Letters, 38 (7), 983-986

Bibliographical note

Accepted author manuscript