The nature of small molecules adsorbed on defective carbon nanotubes

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review

3 Scopus Citations
View graph of relations

Author(s)

  • Danhui Li
  • Fengting Wang
  • Zhiyuan Zhang
  • Wanrun Jiang
  • Yu Zhu
  • Zhigang Wang

Detail(s)

Original languageEnglish
Article number190727
Journal / PublicationRoyal Society Open Science
Volume6
Issue number8
Online published14 Aug 2019
Publication statusPublished - 2019

Link(s)

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; Jiang, Wanrun; Zhu, Yu; Wang, Zhigang; Zhang, Rui-Qin.

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 journalpeer-review

Download Statistics

No data available