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Charge-doping-induced phase transitions in hydrogenated and fluorinated graphene

Wehling, Tim O., Grundkötter-Stock, Bernhard, Aradi, B., Frauenheim, Th. and Niehaus, Thomas A. (2014) Charge-doping-induced phase transitions in hydrogenated and fluorinated graphene. Physical Review B (PRB) 90, 085422.

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Other URL: http://journals.aps.org/prb/abstract/10.1103/PhysRevB.90.085422


Abstract

We show that charge doping can induce transitions between three distinct adsorbate phases in hydrogenated and fluorinated graphene. By combining ab initio, approximate density functional theory and tight-binding calculations we identify a transition from islands of C8H2 and C8F2 to random adsorbate distributions around a doping level of ±0.05 e/C atom. Furthermore, in situations with random ...

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Item type:Article
Date:20 August 2014
Institutions:Physics > Institute of Theroretical Physics > Alumni or Retired Professors > Group Thomas Niehaus
Identification Number:
ValueType
10.1103/PhysRevB.90.085422DOI
Dewey Decimal Classification:500 Science > 530 Physics
Status:Published
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Yes
Item ID:30705
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