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Title: Coverage dependent work function of graphene on a Cu(111) substrate with intercalated alkali metals

Abstract

Using first-principles calculations, it is shown that the work function of graphene on copper can be adjusted by varying the concentration of intercalated alkali metals. Using density functional theory, we calculate the modulation of work function when Li, Na, or K are intercalated between graphene and a Cu(111) surface. Furthermore, the physical origins of the change in work function are explained in terms of phenomenological models accounting for the formation and depolarization of interfacial dipoles and the shift in the Fermi-level induced via charge transfer.

Authors:
 [1];  [2];  [2]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. Vanderbilt Univ., Nashville, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1279422
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Applied Physics Letters
Additional Journal Information:
Journal Volume: 106; Journal Issue: 21; Journal ID: ISSN 0003-6951
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; graphene; work functions; copper; charge transfer; metal surfaces

Citation Formats

Cook, Brandon G., Russakoff, Arthur, and Varga, Kalman. Coverage dependent work function of graphene on a Cu(111) substrate with intercalated alkali metals. United States: N. p., 2015. Web. doi:10.1063/1.4921756.
Cook, Brandon G., Russakoff, Arthur, & Varga, Kalman. Coverage dependent work function of graphene on a Cu(111) substrate with intercalated alkali metals. United States. doi:10.1063/1.4921756.
Cook, Brandon G., Russakoff, Arthur, and Varga, Kalman. Tue . "Coverage dependent work function of graphene on a Cu(111) substrate with intercalated alkali metals". United States. doi:10.1063/1.4921756. https://www.osti.gov/servlets/purl/1279422.
@article{osti_1279422,
title = {Coverage dependent work function of graphene on a Cu(111) substrate with intercalated alkali metals},
author = {Cook, Brandon G. and Russakoff, Arthur and Varga, Kalman},
abstractNote = {Using first-principles calculations, it is shown that the work function of graphene on copper can be adjusted by varying the concentration of intercalated alkali metals. Using density functional theory, we calculate the modulation of work function when Li, Na, or K are intercalated between graphene and a Cu(111) surface. Furthermore, the physical origins of the change in work function are explained in terms of phenomenological models accounting for the formation and depolarization of interfacial dipoles and the shift in the Fermi-level induced via charge transfer.},
doi = {10.1063/1.4921756},
journal = {Applied Physics Letters},
number = 21,
volume = 106,
place = {United States},
year = {2015},
month = {5}
}

Journal Article:
Free Publicly Available Full Text
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Cited by: 3 works
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