Back to Search
Start Over
First‐Principles Investigation of NO Molecule Adsorption on As6/Sb6 and Sb6/Bi6 Lateral Heterostructures.
- Source :
-
Physica Status Solidi - Rapid Research Letters . Oct2023, Vol. 17 Issue 10, p1-6. 6p. - Publication Year :
- 2023
-
Abstract
- Predicting and designing highly gas‐sensitive semiconductors is crucial for solving growing environmental problems. Herein, four lateral heterostructures (LHSs), As6/Sb6 AC‐/ZZ‐LHSs and Sb6/Bi6 AC‐/ZZ‐LHSs, are constructed. The adsorption of NO molecule on these LHSs is investigated using first‐principle calculations. The results indicate that the adsorption of NO molecule on As6/Sb6 LHS with armchair (AC) interface is physisorption, whereas NO molecule is chemically adsorbed on As6/Sb6 LHS with zigzag (ZZ) interface and Sb6/Bi6 AC‐/ZZ‐LHSs, with strong adsorption energy and large charge transfer. All LHSs act as charge donors for the NO molecule. Meanwhile, the adsorption of NO molecule causes a significant change in the electronic properties of As6/Sb6 ZZ‐LHS and Sb6/Bi6 AC‐/ZZ‐LHSs, which shows that these LHSs have great potential for application in NO gas sensors. [ABSTRACT FROM AUTHOR]
- Subjects :
- *HETEROSTRUCTURES
*ADSORPTION (Chemistry)
*GAS detectors
*MOLECULES
*CHARGE transfer
Subjects
Details
- Language :
- English
- ISSN :
- 18626254
- Volume :
- 17
- Issue :
- 10
- Database :
- Academic Search Index
- Journal :
- Physica Status Solidi - Rapid Research Letters
- Publication Type :
- Academic Journal
- Accession number :
- 172855412
- Full Text :
- https://doi.org/10.1002/pssr.202300184