B 2C graphene, nanotubes, and nanoribbons

Xiaojun Wu; Yong Pei; Xiao Cheng Zeng

doi:10.1021/nl803758s

B ₂C graphene, nanotubes, and nanoribbons

Xiaojun Wu
, Yong Pei
, Xiao Cheng Zeng

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

164 Citations (Scopus)

Abstract

We report a first-principles prediction of a new two-dimensional inorganic material, namely, the B ₂C graphene in which the boron and carbon atoms are packed into a mosaic of hexagons and rhombuses. In the B ₂C graphene, each carbon atom is bonded with four boron atoms, forming a planar-tetracoordinate carbon (ptC) moiety, a notion first conceived by Hoffmann et al. The B ₂C graphene is possibly a metal with a small overlap in the energy of conduction and valence bands. Like the carbon graphene and nanotubes, a B ₂C graphene sheet can be rolled into various forms of B ₂C nanotubes as well. Depending on the roll-up vector, the B ₂C nanotubes may become either a metal or a semiconductor. All B ₂C graphene nanoribbons are predicted to be uniformly metallic, regardless of their width and edge structure. © American Chemical Society.

Original language	English
Pages (from-to)	1577-1582
Journal	Nano Letters
Volume	9
Issue number	4
DOIs	https://doi.org/10.1021/nl803758s
Publication status	Published - 8 Apr 2009
Externally published	Yes

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title = "B 2C graphene, nanotubes, and nanoribbons",

abstract = "We report a first-principles prediction of a new two-dimensional inorganic material, namely, the B 2C graphene in which the boron and carbon atoms are packed into a mosaic of hexagons and rhombuses. In the B 2C graphene, each carbon atom is bonded with four boron atoms, forming a planar-tetracoordinate carbon (ptC) moiety, a notion first conceived by Hoffmann et al. The B 2C graphene is possibly a metal with a small overlap in the energy of conduction and valence bands. Like the carbon graphene and nanotubes, a B 2C graphene sheet can be rolled into various forms of B 2C nanotubes as well. Depending on the roll-up vector, the B 2C nanotubes may become either a metal or a semiconductor. All B 2C graphene nanoribbons are predicted to be uniformly metallic, regardless of their width and edge structure. {\textcopyright} American Chemical Society.",

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T1 - B 2C graphene, nanotubes, and nanoribbons

AU - Wu, Xiaojun

AU - Pei, Yong

AU - Zeng, Xiao Cheng

N1 - Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to [email protected].

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N2 - We report a first-principles prediction of a new two-dimensional inorganic material, namely, the B 2C graphene in which the boron and carbon atoms are packed into a mosaic of hexagons and rhombuses. In the B 2C graphene, each carbon atom is bonded with four boron atoms, forming a planar-tetracoordinate carbon (ptC) moiety, a notion first conceived by Hoffmann et al. The B 2C graphene is possibly a metal with a small overlap in the energy of conduction and valence bands. Like the carbon graphene and nanotubes, a B 2C graphene sheet can be rolled into various forms of B 2C nanotubes as well. Depending on the roll-up vector, the B 2C nanotubes may become either a metal or a semiconductor. All B 2C graphene nanoribbons are predicted to be uniformly metallic, regardless of their width and edge structure. © American Chemical Society.

AB - We report a first-principles prediction of a new two-dimensional inorganic material, namely, the B 2C graphene in which the boron and carbon atoms are packed into a mosaic of hexagons and rhombuses. In the B 2C graphene, each carbon atom is bonded with four boron atoms, forming a planar-tetracoordinate carbon (ptC) moiety, a notion first conceived by Hoffmann et al. The B 2C graphene is possibly a metal with a small overlap in the energy of conduction and valence bands. Like the carbon graphene and nanotubes, a B 2C graphene sheet can be rolled into various forms of B 2C nanotubes as well. Depending on the roll-up vector, the B 2C nanotubes may become either a metal or a semiconductor. All B 2C graphene nanoribbons are predicted to be uniformly metallic, regardless of their width and edge structure. © American Chemical Society.

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U2 - 10.1021/nl803758s

DO - 10.1021/nl803758s

M3 - RGC 21 - Publication in refereed journal

SN - 1530-6984

VL - 9

SP - 1577

EP - 1582

JO - Nano Letters

JF - Nano Letters

IS - 4

ER -