Effects of edge passivation by hydrogen on electronic structure of armchair graphene nanoribbon and band gap engineering

Lu, Yunhao; Wu, Ruqian; Shen, Limeng; Yang, Ming; Zhang, Sha; Cai, Yao; He, Pimo; Feng, Yuan Ping

doi:10.1063/1.3103551

Cited by 122 publications

(96 citation statements)

References 16 publications

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“…Their ferromagnetic behavior is therefore expected to be only beyond room temperature. 123) 6.2 Electrical and electronic properties Electrical properties of GNRs are strongly associated with the edge configuration, the passivation of the carbon dangling bonds through edge chemistry via chemical functionalization 124) and the amount of sp 3 -like bonds, 125) which will be reviewed in this section with further details. Geometry of the zigzag edges localizes the electrons with maximum electron density forming flat conduction and valence bands near the Dirac points.…”

Section: Optical and Magnetic Propertiesmentioning

confidence: 99%

Nature of Graphene Edges: A Review

Açık

Chabal

2011

Jpn. J. Appl. Phys.

159

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Graphene edges determine the optical, magnetic, electrical, and electronic properties of graphene. In particular, termination, chemical functionalization and reconstruction of graphene edges leads to crucial changes in the properties of graphene, so control of the edges is critical to the development of applications in electronics, spintronics and optoelectronics. Up to date, significant advances in studying graphene edges have directed various smart ways of controlling the edge morphology. Though, it still remains as a major challenge since even minor deviations from the ideal shape of the edges significantly deteriorate the material properties. In this review, we discuss the fundamental edge configurations together with the role of various types of edge defects and their effects on graphene properties. Indeed, we highlight major demanding challenges to find the most suitable technique to characterize graphene edges for numerous device applications such as transistors, sensors, actuators, solar cells, light-emitting displays, and batteries in graphene technology.

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Section: Optical and Magnetic Propertiesmentioning

confidence: 99%

Nature of Graphene Edges: A Review

Açık

Chabal

2011

Jpn. J. Appl. Phys.

159

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“…Although GNR field-effect transistors have been demonstrated 5,8 , and much effort is being devoted to GNR fabrication, the realization of GNRs with controllable and reproducible properties remains a challenge. This is mainly caused by the roughness present at the physical edges of the nanoribbon and by the large dependence of the electronic properties on the chemical edge termination and on the nanoribbon chirality both of which cannot be finely controlled in the employed methods of fabrication 7,9,10,11 . In addition, current approaches do not allow to reach ultra-narrow GNRs with widths of just one or a few chains but are limited to values of the order of 3nm (N∼15 chains) or above.…”

mentioning

confidence: 99%

Electronic structure and Peierls instability in graphene nanoribbons sculpted in graphane

Tozzini

Pellegrini

2010

Phys. Rev. B

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Graphene nanoribbons are semiconductor nanostructures with great potentials in nanoelectronics. Their realization particularly with small lateral dimensions below a few nanometers, however, remains challenging. Here we theoretically analyze zig-zag graphene nanoribbons created in a graphane substrate (a fully saturated two-dimensional hydrocarbon with formula CH) and predict that they are stable down to the limit of a single carbon chain. We exploit density functional theory with B3LYP functional that accurately treats exchange and correlation effects and demonstrate that at small widths below a few chains these zig-zag nanoribbons are semiconducting due to the Peierls instability similar to the case of polyacetylene. Graphene nanoribbons in graphane might represent a viable strategy for the realization of ultra-narrow semiconducting graphene nanoribbons with regular edges and controlled chemical termination and open the way for the exploration of the competition between Peierls distortion and spin effects in artificial one-dimensional carbon structures.

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“…7,8 Tailoring the 2D graphene sheet into nanoribbons has been one of the promising approaches to create a finite value band gap. Individual factors, such as size [9][10][11][12][13][14] , edge effect, 9,[15][16][17] and external strain, [18][19][20][21][22][23] can be employed to effectively tune the band gap of the graphene nanoribbons. However, it is still not clear what the combined effects of these factors are, especially strain and edge passivation, on the band gap of AGNRs…”

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confidence: 99%

Strain modulated band gap of edge passivated armchair graphene nanoribbons

Peng

Velasquez

2011

Applied Physics Letters

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First principles calculations were performed to study strain effects on band gap of armchair graphene nanoribbons (AGNRs) with different edge passivation, including hydrogen, oxygen, and hydroxyl group. The band gap of the H-passivated AGNRs shows a nearly periodic zigzag variation under strain. For O and OH passivation, the zigzag patterns are significantly shifted by a modified quantum confinement due to the edges. In addition, the band gap of the Opassivated AGNRs experiences a direct-to-indirect transition with sufficient tensile strain (~ 5%). The indirect band gap reduces to zero with further increased strain, which may indicate a formation of metallic nanoribbons.

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Effects of edge passivation by hydrogen on electronic structure of armchair graphene nanoribbon and band gap engineering

Cited by 122 publications

References 16 publications

Nature of Graphene Edges: A Review

Nature of Graphene Edges: A Review

Electronic structure and Peierls instability in graphene nanoribbons sculpted in graphane

Strain modulated band gap of edge passivated armchair graphene nanoribbons

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