• 文献标题:   Patterned Hydrogenation of Graphene: Magnetic Quantum Dot Array
  • 文献类型:   Article
  • 作  者:   WU MH, WU XJ, GAO Y, ZENG XC
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF PHYSICAL CHEMISTRY C
  • ISSN:   1932-7447
  • 通讯作者地址:   Univ Nebraska
  • 被引频次:   32
  • DOI:   10.1021/jp9086128
  • 出版年:   2010

▎ 摘  要

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.