The nature of small molecules adsorbed on defective carbon nanotubes
Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review
Author(s)
Related Research Unit(s)
Detail(s)
Original language | English |
---|---|
Article number | 190727 |
Journal / Publication | Royal Society Open Science |
Volume | 6 |
Issue number | 8 |
Online published | 14 Aug 2019 |
Publication status | Published - 2019 |
Link(s)
DOI | DOI |
---|---|
Attachment(s) | Documents
Publisher's Copyright Statement
|
Link to Scopus | https://www.scopus.com/record/display.uri?eid=2-s2.0-85072171635&origin=recordpage |
Permanent Link | https://scholars.cityu.edu.hk/en/publications/publication(95f7a323-4a89-4785-bf19-b26966d576bc).html |
Abstract
In this work, we perform a comprehensive theoretical study on adsorption of representative 10-electron molecules H2O, CH4 and NH3 onto defective single-walled carbon nanotubes. Results of adsorption energy and charge transfer reveal the existence of both chemical adsorption (CA) and physical adsorption (PA). While PA processes are common for all molecules, CA could be further achieved by the polar molecule NH3, whose lone-pair electrons makes it easier to be bonded with the defective nanotube. Our systematic work could contribute to the understanding on intermolecular interactions and the design of future molecular detectors.
Research Area(s)
- Chemical adsorption, Defective carbon nanotube, Gas molecule, Physical adsorption
Citation Format(s)
The nature of small molecules adsorbed on defective carbon nanotubes. / Li, Danhui; Wang, Fengting; Zhang, Zhiyuan et al.
In: Royal Society Open Science, Vol. 6, No. 8, 190727, 2019.
In: Royal Society Open Science, Vol. 6, No. 8, 190727, 2019.
Research output: Journal Publications and Reviews (RGC: 21, 22, 62) › 21_Publication in refereed journal › peer-review
Download Statistics
No data available