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.
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