Mechanistic insights into the adsorption of different types of VOCs on monolayer MoS<sub>2</sub><i>via</i> first-principles approaches
The underlying mechanism that correlates adsorption energy with both the specific volatile organic compound (VOC) category and the carbon chain length on the MoS 2 monolayer is elucidated through DFT calculations.
Authors
- Weina Zhao (ORCID: https://orcid.org/0000-0002-7535-9873)
- Jinlong Wang (ORCID: https://orcid.org/0000-0003-3835-4923)
- Bufan Xie (ORCID: https://orcid.org/0000-0002-8091-6371)
- Guiying Li (ORCID: https://orcid.org/0000-0002-7910-5387)
- Chang Shen (ORCID: https://orcid.org/0000-0002-4128-1641)
- An Taicheng
Institutions
- Guangdong University of Technology (CN)
Publication Details
- Journal
- Environmental Science Nano
- Published
- 2024-12-20
- DOI
- https://doi.org/10.1039/d4en00953c
- Citations
- 5
- Primary Topic
- MXene and MAX Phase Materials
- Type
- article
- Field-Weighted Citation Impact
- 0.59