Advanced search
Publication Cover
Integrated Ferroelectrics
An International Journal
Volume 164, 2015 - Issue 1: Proceedings of The Thirteenth China International Nanoscience and Technology Symposium (CINSTS14) Part V of V
Submit an article Journal homepage
156
Views
1
CrossRef citations to date
0
Altmetric
Original Articles

Theoretical Study of Epoxy Group Adsorption and Diffusion on Pristine, Defected Graphene Sheets

Ya-nan TangCollege of Physics and Electronic Engineering, Zhengzhou Normal University, Zhengzhou, Henan, 450044, People's Republic of China;Quantum Materials Research Center, Zhengzhou Normal University, Henan,, 450044, People's Republic of ChinaCorrespondence[email protected] [email protected]
,
Jin-cheng ZhouCollege of Physics and Electronic Engineering, Zhengzhou Normal University, Zhengzhou, Henan, 450044, People's Republic of China;Quantum Materials Research Center, Zhengzhou Normal University, Henan,, 450044, People's Republic of China
,
Cheng-gang LiCollege of Physics and Electronic Engineering, Zhengzhou Normal University, Zhengzhou, Henan, 450044, People's Republic of China;Quantum Materials Research Center, Zhengzhou Normal University, Henan,, 450044, People's Republic of China
,
Wei-guang ChenCollege of Physics and Electronic Engineering, Zhengzhou Normal University, Zhengzhou, Henan, 450044, People's Republic of China;Quantum Materials Research Center, Zhengzhou Normal University, Henan,, 450044, People's Republic of China
&
Xian-qi DaiCollege of Physics and Electronic Engineering, Zhengzhou Normal University, Zhengzhou, Henan, 450044, People's Republic of China;Quantum Materials Research Center, Zhengzhou Normal University, Henan,, 450044, People's Republic of ChinaCorrespondence[email protected] [email protected]
Pages 112-121 | Received 21 Nov 2014, Accepted 31 Dec 2014, Published online: 17 Aug 2015
 
Sample our Physical Sciences journals, sign in here to start your FREE access for 14 days

Abstract

The geometric stability and diffusion property of epoxy groups on graphene sheets are investigated using the first-principles calculations. Compared with the pristine graphene (pri-graphene), the single epoxy group has larger adsorption energy and diffusion barrier on the defective graphene with single vacancy (SV-graphene). Besides, the single O adatom easily be drawn back to the SV site at the diffusion zone and two oxygen adatoms constitute the major feature of oxidized region that the formation of carbonyl and C‒O‒C group at the SV-graphene. Moreover, the preadsorbed epoxy groups induce the structural distortion of graphene sheet and thus enhance the stability of hydroxyl groups. The results provide valuable guidance on the structural property and formation mechanism of graphene oxide sheet.

Log in via your institution

Access through your institution

Log in to Taylor & Francis Online

Restore content access

Restore content access for purchases made as guest
Purchase options * Save for later

PDF download + Online access

  • 48 hours access to article PDF & online version
  • Article PDF can be downloaded
  • Article PDF can be printed
USD 61.00 Add to cart

Issue Purchase

  • 30 days online access to complete issue
  • Article PDFs can be downloaded
  • Article PDFs can be printed
USD 2,157.00 Add to cart

* Local tax will be added as applicable

Related Research

People also read lists articles that other readers of this article have read.

Recommended articles lists articles that we recommend and is powered by our AI driven recommendation engine.

Cited by lists all citing articles based on Crossref citations.
Articles with the Crossref icon will open in a new tab.