2012
DOI: 10.1063/1.3694665
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Oxygen density dependent band gap of reduced graphene oxide

Abstract: We investigated the stability of reduced graphene oxide for oxygen density ranging from 6.25% to 50% with the density functional theory and found the most, the second most, and the third most stable oxygen configurations. The effect of relaxation of lattice on the electronic properties is found to be negligible for low O coverage and crucial for higher O coverage, respectively. The densities of states and the band gaps were calculated. The bandgap is found to be a non-monotonic function of oxygen density, with… Show more

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Cited by 177 publications
(122 citation statements)
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“…The observed effects can be explained by transitions between states being far from the Fermi level, possibly interband transitions or states formed by functional groups of oxygen. As is known, recovery of the GO is accompanied by the departure of the various functional groups of oxygen, which can lead both to decrease the band gap [17], and the transformation of defect-impurity structure [1]. Low-temperature dependences of resistance on the temperature are different from the linear one (the inset of Fig.…”
Section: Discussionmentioning
confidence: 98%
“…The observed effects can be explained by transitions between states being far from the Fermi level, possibly interband transitions or states formed by functional groups of oxygen. As is known, recovery of the GO is accompanied by the departure of the various functional groups of oxygen, which can lead both to decrease the band gap [17], and the transformation of defect-impurity structure [1]. Low-temperature dependences of resistance on the temperature are different from the linear one (the inset of Fig.…”
Section: Discussionmentioning
confidence: 98%
“…Low bandgap of 1.3 eV suggest that GO should produce high yield of solar fuel. Huang et al reported that bandgap energy of GO can be tuned from 2.7 to 1.15 eV depending on density of oxygen functional groups [44]. Thus, Low bandgap energy GO could be efficient photocatalyst for CO2 reduction to solar fuel under visible light irradiation.…”
Section: Uv-vis Spectroscopymentioning
confidence: 99%
“…Up to now, a number of approaches have been tried to remedy the zero band gap problem, including bilayer graphene stacking, formation of graphene nanoribbons or graphene antidot lattices, via hetero atom doping, and chemical modification. [12][13][14][15][16][17][18][19][20][21][22][23][24][25] For instance, hybridized h-BNC structures have been synthesized and have a band gap around 18 meV. 19 A gap of ∼0.26 eV can also be produced when graphene is epitaxially grown on a SiC substrate.…”
Section: Introductionmentioning
confidence: 99%