Effects of Sodium and Chlorine Doping on Optical Properties of Germanene: Density Functional Theory Calculation

International Conference on Chemistry and Material Science 2017

化学;材料科学

Pamungkas, Mauludi Ariesto^1 ; Istiroyah^1 ; Salim, Muhammad Fikri^1 ; Afifah, Dina Nurul^1

Lab Simulasi Dan Pemodelan, Jurusan Fisika, Universitas Brawijaya, Indonesia^1

关键词: Chlorine doping;    Cl-doped;    Effect of doping;    Germanene;    Two-dimensional materials;   

Others  :  https://iopscience.iop.org/article/10.1088/1757-899X/299/1/012045/pdf
DOI  :  10.1088/1757-899X/299/1/012045

学科分类：材料科学（综合）

来源: IOP

【 摘 要 】

Germanene is a two-dimensional material which is derived from germanium elements and arranged in a honeycomb-like hexagonal. This study aims to determine the optical properties of pristine germanene and effect of doping Sodium (Na) and Chlorine (Cl) atom on germanene. These elements are chosen owing to their ability to create strong bonds with germanene and easily available in nature. This research uses Density Functional Theory approach to measure the effects of sodium and chlorine doping on germanene's optical properties. The results showed that pristine germanene had higher optical and energy than the doped with sodium and chlorine. Cl-doped germanene had similar graphical shape with pristine germanene.