2008
DOI: 10.1063/1.2939270
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Semiconducting nature of the oxygen-adsorbed graphene sheet

Abstract: Structural and electronic properties for oxygen-adsorbed graphene sheets have been explored using first-principles total-energy calculations within the local density functional theory. A finite energy gap emerges for the oxygen-adsorbed graphene and its value increases with the ratio of O∕C, as manifested by experiments. Further, adsorption energy and migration barrier for oxygen atoms on the graphene sheet have been investigated. The results show that isolated oxygen atoms are highly mobile and incline to con… Show more

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Cited by 229 publications
(200 citation statements)
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“…[41][42][43][44][45][46][47][48][49][50] The high electronegativity of oxygen atoms on carbon sheets causes the charge flow that exerts p-type semiconductivity to GO. 41,47,[51][52][53][54][55] As oxygen bonds on graphene, the valence band changes from the π-orbital of graphene to the O 2p orbital, leading to a larger bandgap for a higher oxidation level of GO. Complete oxidation converts graphene from semiconductor to insulator.…”
Section: Introductionmentioning
confidence: 99%
“…[41][42][43][44][45][46][47][48][49][50] The high electronegativity of oxygen atoms on carbon sheets causes the charge flow that exerts p-type semiconductivity to GO. 41,47,[51][52][53][54][55] As oxygen bonds on graphene, the valence band changes from the π-orbital of graphene to the O 2p orbital, leading to a larger bandgap for a higher oxidation level of GO. Complete oxidation converts graphene from semiconductor to insulator.…”
Section: Introductionmentioning
confidence: 99%
“…At an O/C ratio of 50%, a finite band gap of 3.39 eV is found. 20 Attachment of a carbonyl group leads to an almost planar sp 2 electronic configuration because the formation of C ¼ O bonds induces little strain in the graphene sheet. On the contrary, attachment of an epoxy group leads to a nonplanar distorted sp 3 electronic configuration for those carbon atoms which are connected to oxygen.…”
mentioning
confidence: 99%
“…However, the zero bandgap of graphene limits applications that need a high on-off ratio and rectification [9]. Several methods that have been investigated to create a bandgap, such as a bilayer stack of graphene [10,11], doping [12], and nano ribbon structure [13] are known to compromise mobility; i.e., graphene with a larger bandgap tends to have lower mobility, diluting its benefits [14].…”
Section: Introductionmentioning
confidence: 99%