Tuning the electronic structure of graphene through alkali metal and halogen atom intercalation

Sohail Ahmad; Pere Miró; Martha Audiffred; Thomas Heine

doi:10.1016/j.ssc.2018.01.002

Tuning the electronic structure of graphene through alkali metal and halogen atom intercalation

Sohail Ahmad, Pere Miró, Martha Audiffred, Thomas Heine

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

7 Citations (Scopus)

Abstract

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 M⁺-C^- pairs. The co-intercalation 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.

Original language	English
Pages (from-to)	22-27
Number of pages	6
Journal	Solid State Communications
Volume	272
DOIs	https://doi.org/10.1016/j.ssc.2018.01.002
Publication status	Published - 2018 Apr

Bibliographical note

Funding Information:
Prof. Sohail Ahmad would like to thank Prof. Thomas Heine for an opportunity to visit his group at Jacobs University, Bremen, Germany where all these calculations have been performed. Financial support from DFG (HE 3543/26-1) for this visit is gratefully acknowledged.

Funding Information:
Prof. Sohail Ahmad would like to thank Prof. Thomas Heine for an opportunity to visit his group at Jacobs University, Bremen, Germany where all these calculations have been performed. Financial support from DFG (HE 3543/26-1 ) for this visit is gratefully acknowledged.

Publisher Copyright:
© 2018

All Science Journal Classification (ASJC) codes

Chemistry(all)
Condensed Matter Physics
Materials Chemistry

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10.1016/j.ssc.2018.01.002

Cite this

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abstract = "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 M+-C- pairs. The co-intercalation 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.",

author = "Sohail Ahmad and Pere Mir{\'o} and Martha Audiffred and Thomas Heine",

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AU - Miró, Pere

AU - Audiffred, Martha

AU - Heine, Thomas

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AB - 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 M+-C- pairs. The co-intercalation 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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Tuning the electronic structure of graphene through alkali metal and halogen atom intercalation

Abstract

Bibliographical note

All Science Journal Classification (ASJC) codes

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