Comparative investigation of the bulk and electronic properties of dimethyl disulphide adsorbed indium doped zigzag graphene nanoribbon: A DFT Study
-
Published:2024-04-01
Issue:1
Volume:1327
Page:012025
-
ISSN:1755-1307
-
Container-title:IOP Conference Series: Earth and Environmental Science
-
language:
-
Short-container-title:IOP Conf. Ser.: Earth Environ. Sci.
Author:
Phull Jaskaran Singh,Kaur Harmandar,Singh Manjit,Sarangal Himali,Singh Butta
Abstract
Abstract
For the purpose of understanding the adsorption process using the density functional theory method, the bulk and electronic properties of the complex consisting of dimethyl disulphide (C2H6S2) and indium doped zigzag graphene nanoribbon are investigated. Also, a comparison with the electronic and bulk characteristics of indium-doped zigzag graphene nanoribbon is made with molecule adsorbed zigzag graphene nanoribbon. Following complete geometric optimization, the electronic and bulk characteristics are calculated. The stated complex’s structural changes exhibit observable differences, prompting further research based on its electronic properties. Calculating the complex’s various electronic properties reveals that it possesses semi metallic behavior.
Reference22 articles.
1. Augmenting sulfur metabolism and herbivore defense in Arabidopsis by bacterial volatile signaling;Aziz;Front. Plant Sci.,2016
2. Semiochemicals and their potential use in pest management;El-Shafie;Biological control of pest and vector insects,2017