A QUANTUM ESPRESSO STUDY OF NITROGEN DOPED GRAPHENE USING DENSITY FUNCTIONAL THEORY

Authors

  • A.B. AHMED Department of Physics Gombe State University Gombe State
  • MANSUR SAID Department of Physics Yusuf Maitama Sule University Kano
  • A. A. SISA Department of Physics Gombe State University Gombe State

Keywords:

Graphene, Band Structure, Density of State, Projected Density of State

Abstract

Nitrogen doped graphene has attracted attention because of the abundance of nitrogen and high
performances of graphene. Graphene is an allotrope of carbon that takes the shape of a plane of
sp2-bonded atoms with a molecular bond length of 0.142 nm. Despite the material's unusual
characteristics, such as being the thinnest known material but the strongest, and a brilliant
conductor of both heat and electricity, it lacks a band gap.Quantum Espresso was used to
investigate the structural and electronic properties of graphene nanosheet. It was observed that
pure graphene produces zero energy gap while 0.32 when the hydrogen atom was doped.
Different patterns were observed in Total Density of State (TDOS) and Projected Density of
State (PDOS) due to the doping effect.

Downloads

Published

2022-01-21

How to Cite

A.B. AHMED, SAID, M. ., & A. A. SISA. (2022). A QUANTUM ESPRESSO STUDY OF NITROGEN DOPED GRAPHENE USING DENSITY FUNCTIONAL THEORY. BIMA JOURNAL OF SCIENCE AND TECHNOLOGY (2536-6041), 5(03), 100-107. Retrieved from https://journals.gjbeacademia.com/index.php/bimajst/article/view/334

Issue

Vol. 5 No. 03 (2022): Vol. 5 No. 3 January 2022

Section

Articles