Experimental and theoretical investigation of relative optical band gaps in graphene generations

Bhatnagar, Deepika and Singh, Sukhbir and Yadav, Sriniwas and Kumar, Ashok and Kaur, Inderpreet (2017) Experimental and theoretical investigation of relative optical band gaps in graphene generations. Materials Research Express, 4 (1). 015101-015101. ISSN 2053-1591

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Official URL: http://iopscience.iop.org/article/10.1088/2053-159...


Size and chemical functionalization dependant optical band gaps in graphene family nanomaterials were investigated by experimental and theoretical study using Tauc plot and density functional theory (DFT). We have synthesized graphene oxide through a modified Hummer's method using graphene nanoplatelets and sequentially graphene quantum dots through hydrothermal reduction. The experimental results indicate that the optical band gap in graphene generations was altered by reducing the size of graphene sheets and attachment of chemical functionalities like epoxy, hydroxyl and carboxyl groups plays a crucial role in varying optical band gaps. It is further confirmed by DFT calculations that the π orbitals were more dominatingly participating in transitions shown by projected density of states and the molecular energy spectrum represented the effect of attached functional groups along with discreteness in energy levels. Theoretical results were found to be in good agreement with experimental results. All of the above different variants of graphene can be used in native or modified form for sensor design and optoelectronic applications.

Item Type: Article
Subjects: CSIO > Nano Science and Nano Technology
Depositing User: Ms. Jyotsana
Date Deposited: 23 Jan 2019 16:37
Last Modified: 23 Jan 2019 16:37
URI: http://csioir.csio.res.in/id/eprint/739

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