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Origin of optical bandgap fluctuations in graphene oxide

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Abstract

In this work, we explore the electrical, optical and spectroscopic properties of different Graphene Oxide (GO) samples focusing on new oxidative strategies to tune their physicochemical properties. Three types of GO samples were prepared by changing the oxidative conditions resulting in carbonyl-, epoxy- or hydroxyl-rich GO. These materials were characterized by UV-VIS absorption, Raman spectroscopy and X-ray diffraction. The experimental results indicate that all samples exhibit oxidation and exfoliation degrees typical of graphene oxides obtained by using the modified Hummers’ method. The optical bandgap values were measured using the Tauc’s plot from UV-VIS data and showed that the stoichiometry of GO impacts the width of the bandgap. The carbonyl-rich sample presented the lowest gap around 3.20 ± 0.02 eV, while epoxy- and hydroxyl-rich GOs showed out gaps of about 3.48 ± 0.07 and 3.72 ± 0.05 eV, respectively. These experimental results are consistent with theoretical calculations of bandgaps obtained with coronene and circumcoronene GO models. The calculations were obtained using different theoretical approaches, such as: Huckel, PM3, AM1 and DFT. The present work suggests that a precise tuning of the optical bandgap of GOs can be achieved by only changing their stoichiometry thus allowing their use in a large range of electronic applications.

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Article Open access 09 February 2016

Md. Sajibul Alam Bhuyan, Md. Nizam Uddin, … Sayed Shafayat Hossain

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Authors and Affiliations

  1. Grupo de Nanociências e Nanotecnologia - Nano, Departamento de Física – UFJF, Juiz de Fora/MG, 36036-900, Brazil

    Alessandro Henrique de Lima, Camila Thomacelli Tavares, Clemilda Corrêa Soares da Cunha, Nayton Claudinei Vicentini, Giovani Romeu Carvalho, Benjamin Fragneaud, Indhira Oliveira Maciel, Cristiano Legnani & Welber Gianini Quirino

  2. Núcleo de Espectroscopia e Estrutura Molecular – NEEM, Departamento de Química – UFJF, Juiz de Fora/MG, 36036-900, Brazil

    Luiz Fernando Cappa de Oliveira

  3. Laboratório de Simulação, Departamento de Física – UFJF, Juiz de Fora/MG, 36036-900, Brazil

    Fernando Sato & João Paulo Almeida de Mendonça

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  1. Alessandro Henrique de Lima
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  2. Camila Thomacelli Tavares
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de Lima, A.H., Tavares, C.T., da Cunha, C.C.S. et al. Origin of optical bandgap fluctuations in graphene oxide. Eur. Phys. J. B 93, 105 (2020). https://doi.org/10.1140/epjb/e2020-100578-7

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