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Lee, Geunsik
Electronic Structure and Transport in Condensed Materials
Research Interests
  • open quantum system, non-equilibrium electron transport
  • electron correlation, dynamical mean field theory
  • 2D materials, metal complexes

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Gap Opening of Graphene by Dual FeCl3-Acceptor and K-Donor Doping

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Title
Gap Opening of Graphene by Dual FeCl3-Acceptor and K-Donor Doping
Other Titles
Gap Opening of Graphene by Dual FeCl3-Acceptor and K-Donor Doping
Author
Yang, Jae WonLee, GeunsikKim, Jai SamKim, Kwang S.
Keywords
GENERALIZED GRADIENT APPROXIMATION; FIELD-EFFECT TRANSISTORS; INTERCALATION COMPOUNDS; BILAYER GRAPHENE; ELECTRONIC-STRUCTURE; GRAPHITE; FECL3-GRAPHITE; MOSSBAUER; DEVICE; FECL3
Issue Date
2011-09
Publisher
AMER CHEMICAL SOC
Citation
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, v.2, no.20, pp.2577 - 2581
Abstract
The band gap opening of graphene is the most desired property in the device industry because it is vital to the application of graphene as a logical device of semiconductors. Here, we show how to make a reasonably wide band gap in graphene. This is accomplished with bilayer graphene (BLG) dual-doped with FeCl3-acceptor and K-donor. To elucidate this phenomenon, we employed the first-principles method taking into account van der Waals interaction. For the FeCl3 adsorbed BLG, the optimal distance between the adjacent graphene and FeCl3 layers is 4.6-4.8 angstrom, consistent with experiments. Due to the high electronegativity of FeCl3, these graphene layers are hole-doped. The dual-doped BLG gives a band gap of 0.27 eV due to broken symmetry, with a Dirac point shift by -0.09 eV. This increased band gap and proper Dirac point shift could make the dual-doped BLG useful for applications toward future field effect transistor devices.
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DOI
10.1021/jz201098u
ISSN
1948-7185
Appears in Collections:
PHY_Journal Papers
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