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Adatom doping-enriched geometric and electronic properties of pristine graphene: a method to modify the band gap

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Abstract

We have investigated the way in which the concentration and distribution of adatoms affect the geometric and electronic properties of graphene. Our calculations were based on the use of first principle under the density functional theory which reveal various types of π-bonding. The energy band structure of this doped graphene material may be explored experimentally by employing angle-resolved photo-emission spectroscopy (ARPES) for electronic band structure measurements and scanning tunneling spectroscopy (STS) for the density-of-states (DOS) both of which have been calculated and reported in this paper. Our calculations show that such adatom doping is responsible for the destruction or appearance of the Dirac-cone structure.

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Author information

Authors and Affiliations

  1. Department of Physics, National Cheng Kung University, Tainan, 701, Taiwan

    Ngoc Thanh Thuy Tran & Ming-Fa Lin

  2. Department of Physics and Astronomy, Hunter College of the City University of New York, 695 Park Avenue, New York, NY, 10065, USA

    Dipendra Dahal & Godfrey Gumbs

  3. Donostia International Physics Center (DIPC), P de Manuel Lardizabal, 4, 20018, San Sebastian, Basque Country, Spain

    Godfrey Gumbs

Authors
  1. Ngoc Thanh Thuy Tran
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  2. Dipendra Dahal
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  3. Godfrey Gumbs
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  4. Ming-Fa Lin
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Corresponding author

Correspondence to Dipendra Dahal.

Additional information

“This paper is dedicated to Professor Lou Massa on the occasion of his Festschrift: A Path through Quantum Crystallography”.

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Thuy Tran, N.T., Dahal, D., Gumbs, G. et al. Adatom doping-enriched geometric and electronic properties of pristine graphene: a method to modify the band gap. Struct Chem 28, 1311–1318 (2017). https://doi.org/10.1007/s11224-017-0981-4

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  • DOI: https://doi.org/10.1007/s11224-017-0981-4

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