Mechanistic insights into the adsorption of different types of VOCs on monolayer MoS2via first-principles approaches

Weina Zhao,Jinlong Wang,Chang Shen,Bufan Xie,Guiying Li,Taicheng An

doi:10.1039/d4en00953c

Mechanistic insights into the adsorption of different types of VOCs on monolayer MoS2via first-principles approaches

Weina Zhao, Jinlong Wang + Show 4 more

https://doi.org/10.1039/d4en00953c

Copy DOI

Export

Save

Cite

Journal: Environmental Science: Nano

Publication Date: Jan 1, 2025

#Adsorption Of Different Types #Specific Volatile Organic Compound #Carbon Chain Length #MoS2 Monolayer #Volatile Organic Compound #First-principles Approaches #Specific Organic Compound #Mechanistic Insights #DFT Calculations #Specific Compound

Abstract
Full-Text
Similar Papers

Abstract

Listen

The underlying mechanism that correlates adsorption energy with both the specific volatile organic compound (VOC) category and the carbon chain length on the MoS2 monolayer is elucidated through DFT calculations.

Full Text

Published Version

Check institute access

Open DOI Link

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Similar Papers

Paper Title

Journal

Date

Author

View more papers

More From: Environmental Science: Nano

Paper Title

Journal

Date

Author

View more papers

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.

R Discovery Prime

Mechanistic insights into the adsorption of different types of VOCs on monolayer MoS2via first-principles approaches