Crown oxygen-doping graphene with embedded main-group metal atoms

Liyuan Wu, Qian Wang, Chuanghua Yang, Ruge Quhe, Pengfei Guan and Pengfei Lu ()
Additional contact information
Liyuan Wu: State Key Laboratory of Information Photonics and Optical Communications, Beijing University of Posts and Telecommunications
Qian Wang: State Key Laboratory of Information Photonics and Optical Communications, Beijing University of Posts and Telecommunications
Chuanghua Yang: School of Physics and Telecommunication Engineering, Shaanxi Sci-Tech University
Ruge Quhe: School of Science, Beijing University of Posts and Telecommunications
Pengfei Guan: Beijing Computational Science Research Center
Pengfei Lu: State Key Laboratory of Information Photonics and Optical Communications, Beijing University of Posts and Telecommunications

The European Physical Journal B: Condensed Matter and Complex Systems, 2018, vol. 91, issue 2, 1-5

Abstract: Abstract Different main-group metal atoms embedded in crown oxygen-doping graphene (metal@OG) systems are studied by the density functional theory. The binding energies and electronic structures are calculated by using first-principles calculations. The binding energy of metal@OG system mainly depends on the electronegativity of the metal atom. The lower the value of the electronegativity, the larger the binding energy, indicating the more stable the system. The electronic structure of metal@OG arouses the emergence of bandgap and shift of Dirac point. It is shown that interaction between metal atom and crown oxygen-doping graphene leads to the graphene’s stable n-doping, and the metal@OG systems are stable semiconducting materials, which can be used in technological applications.

Keywords: Solid; State; and; Materials (search for similar items in EconPapers)
Date: 2018
References: View complete reference list from CitEc
Citations:

Downloads: (external link)
http://link.springer.com/10.1140/epjb/e2018-80396-2 Abstract (text/html)
Access to the full text of the articles in this series is restricted.

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:spr:eurphb:v:91:y:2018:i:2:d:10.1140_epjb_e2018-80396-2

Ordering information: This journal article can be ordered from
http://www.springer.com/economics/journal/10051

DOI: 10.1140/epjb/e2018-80396-2

Access Statistics for this article

The European Physical Journal B: Condensed Matter and Complex Systems is currently edited by P. Hänggi and Angel Rubio

More articles in The European Physical Journal B: Condensed Matter and Complex Systems from Springer, EDP Sciences
Bibliographic data for series maintained by Sonal Shukla () and Springer Nature Abstracting and Indexing ().