Journal
SOLID STATE COMMUNICATIONS
Volume 272, Issue -, Pages 22-27Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.ssc.2018.01.002
Keywords
Deposition; Intercalation; Graphene; Density functional theory
Categories
Funding
- DFG [HE 3543/26-1]
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The deposition, intercalation and co-intercalation of heavy alkali metals and light halogens atoms in graphene mono-and bilayers have been studied using first principles density-functional calculations. Both the deposition and the intercalation of alkali metals gives rise to n-type doping due to the formation of Mthorn-C-pairs. The cointercalation of a 1:1 ratio of alkali metals and halogens derives into the formation of ionic pairs among the intercalated species, unaltering the electronic structure of the layered material.
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