Published January 1, 2018 | Version v1
Journal article

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

  • 1. Lab Simulasi dan Pemodelan, Jurusan Fisika, Universitas Brawijaya (Indonesia)

Description

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 (paper)

Availability note (English)

Available from http://dx.doi.org/10.1088/1757-899X/299/1/012045

Additional details

Publishing Information

Journal Title
IOP Conference Series. Materials Science and Engineering (Online)
Journal Volume
299
Journal Issue
1
Journal Page Range
[6 p.]
ISSN
1757-899X

Conference

Title
International Conference on Chemistry and Material Science
Acronym
IC2MS 2017
Dates
4-5 Nov 2017
Place
Malang (Indonesia)

INIS

Country of Publication
United Kingdom
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
52072479
Subject category
S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
Resource subtype / Literary indicator
Conference
Descriptors DEI
ATOMS; CHLORINE; DENSITY FUNCTIONAL METHOD; DOPED MATERIALS; GERMANENE; OPTICAL PROPERTIES; SODIUM; TWO-DIMENSIONAL CALCULATIONS
Descriptors DEC
ALKALI METALS; CALCULATION METHODS; ELEMENTS; GERMANIUM; HALOGENS; MATERIALS; METALS; NONMETALS; PHYSICAL PROPERTIES; VARIATIONAL METHODS