Does Divacancy Defect Combine with N,S-Codoping Enhance the Electronic Properties of Graphene to Its Interaction with K+ Ion?

  • Yuniawan Hidayat Universitas Sebelas Maret
  • Fitria Rahmawati Universitas Sebelas Maret (UNS)
  • Khoirina Dwi Nugrahaningtyas Universitas Sebelas Maret (UNS)
  • Abduro’uf Althof Abiyyi

Abstract

Defects in graphene alter its structure, electrical characteristics, and interaction with  K+ ions. The related characteristics of divacancy defect graphene and N, S codoped divacancy graphene were effectively explored using the DFTB technique. Divacancy is essential for the band gap opening. The dopants considerably enhance the density of state (DOS) intensity and alter the graphene-character bands. The depletion of density caused by the dopant is seen on the charge density isosurface. Because the charge of the K+ ion is balanced by the dopant, the ion prefers to be adsorbed on divacancy graphene with dopants.

Published
2023-03-20
How to Cite
HIDAYAT, Yuniawan et al. Does Divacancy Defect Combine with N,S-Codoping Enhance the Electronic Properties of Graphene to Its Interaction with K+ Ion?. Molekul, [S.l.], v. 18, n. 1, p. 140-146, mar. 2023. ISSN 2503-0310. Available at: <http://jos.unsoed.ac.id/index.php/jm/article/view/7077>. Date accessed: 20 apr. 2024. doi: https://doi.org/10.20884/1.jm.2023.18.1.7077.
Section
Articles