Electronic and optical properties of reduced graphene oxide

Lundie, M; Šljivančanin, Z; Tomic, S

Abstract

Controlled reduction of graphene oxide is an alternative and promising method to tune the electronic
and optically active energy gap of this two-dimensional material in the energy range of the visible light
spectrum. By means of ab initio calculations, based on hybrid density functional theory, that combine the
Hartree–Fock method with the generalized gradient approximation (GGA), we investigated the electronic,
optical, and radiative recombination properties of partially reduced graphene oxide, modelled as small islands
of pristine graphene formed in an infinite sheet of graphene oxide. We predict that tuning of optically active
gaps, in the wide range from B6.5 eV to B0.25 eV, followed by the electron radiative transition times in the
range from ns to ms, can be effected by controlling the level of oxidization.

Citation

Lundie, M., Šljivančanin, Z., & Tomic, S. (2015). Electronic and optical properties of reduced graphene oxide. Journal of Materials Chemistry C, 3(29), 7632-7641. https://doi.org/10.1039/C5TC00437C

• Journal Article Type: Article
• Acceptance Date: Jun 6, 2015
• Online Publication Date: Jun 10, 2015
• Publication Date: Jun 10, 2015
• Deposit Date: Dec 8, 2015
• Journal: J. Mater. Chem. C
• Print ISSN: 2050-7526
• Publisher: Royal Society of Chemistry
• Volume: 3
• Issue: 29
• Pages: 7632-7641
• DOI: https://doi.org/10.1039/C5TC00437C
• Publisher URL: http://dx.doi.org/10.1039/C5TC00437C
• Related Public URLs: http://pubs.rsc.org/en/journals/journalissues/tc#!recentarticles&all