Patterned hydrogenation of graphene: Magnetic quantum dot array

Menghao Wu; Xiaojun Wu; Yi Gao; Xiao Cheng Zeng

doi:10.1021/jp9086128

Patterned hydrogenation of graphene: Magnetic quantum dot array

Menghao Wu, Xiaojun Wu, Yi Gao, Xiao Cheng Zeng^*

^*Corresponding author for this work

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

36 Citations (Scopus)

Abstract

We design a new class of chemically modified graphenes through selective hydrogenation, which contain an array of triangular carbon domains separated by hydrogenated carbon stripes. By using a density-functional theory method within the generalized gradient approximation in the Perdew-Burke-Ernzerhof functional form, we show that each carbon triangle possesses notable magnetic moment on the edges. The chemically patterned graphene can be also viewed as an array of semiconducting quantum dots, where the hydrogenated carbon stripes play the role of quantum confinement. By adjusting the width of hydrogenated carbon stripes or the length scale of uncoated carbon triangles, the magnetic moment, band gap, and optical properties of the selectively hydrogenated graphene can be tuned. © 2010 American Chemical Society.

Original language	English
Pages (from-to)	139-142
Journal	The Journal of Physical Chemistry C
Volume	114
Issue number	1
DOIs	https://doi.org/10.1021/jp9086128
Publication status	Published - 14 Jan 2010
Externally published	Yes

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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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title = "Patterned hydrogenation of graphene: Magnetic quantum dot array",

abstract = "We design a new class of chemically modified graphenes through selective hydrogenation, which contain an array of triangular carbon domains separated by hydrogenated carbon stripes. By using a density-functional theory method within the generalized gradient approximation in the Perdew-Burke-Ernzerhof functional form, we show that each carbon triangle possesses notable magnetic moment on the edges. The chemically patterned graphene can be also viewed as an array of semiconducting quantum dots, where the hydrogenated carbon stripes play the role of quantum confinement. By adjusting the width of hydrogenated carbon stripes or the length scale of uncoated carbon triangles, the magnetic moment, band gap, and optical properties of the selectively hydrogenated graphene can be tuned. {\textcopyright} 2010 American Chemical Society.",

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AU - Wu, Xiaojun

AU - Gao, Yi

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 design a new class of chemically modified graphenes through selective hydrogenation, which contain an array of triangular carbon domains separated by hydrogenated carbon stripes. By using a density-functional theory method within the generalized gradient approximation in the Perdew-Burke-Ernzerhof functional form, we show that each carbon triangle possesses notable magnetic moment on the edges. The chemically patterned graphene can be also viewed as an array of semiconducting quantum dots, where the hydrogenated carbon stripes play the role of quantum confinement. By adjusting the width of hydrogenated carbon stripes or the length scale of uncoated carbon triangles, the magnetic moment, band gap, and optical properties of the selectively hydrogenated graphene can be tuned. © 2010 American Chemical Society.

AB - We design a new class of chemically modified graphenes through selective hydrogenation, which contain an array of triangular carbon domains separated by hydrogenated carbon stripes. By using a density-functional theory method within the generalized gradient approximation in the Perdew-Burke-Ernzerhof functional form, we show that each carbon triangle possesses notable magnetic moment on the edges. The chemically patterned graphene can be also viewed as an array of semiconducting quantum dots, where the hydrogenated carbon stripes play the role of quantum confinement. By adjusting the width of hydrogenated carbon stripes or the length scale of uncoated carbon triangles, the magnetic moment, band gap, and optical properties of the selectively hydrogenated graphene can be tuned. © 2010 American Chemical Society.

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JO - The Journal of Physical Chemistry C

JF - The Journal of Physical Chemistry C

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Patterned hydrogenation of graphene: Magnetic quantum dot array

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