Possible doping strategies for MoS2 monolayers: An ab initio study
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2013Access:
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Kapildeb Dolui, Ivan Rungger, Chaitanya Das Pemmaraju, and Stefano Sanvito, Possible doping strategies for MoS2 monolayers: An ab initio study, Physical Review B, 88, 7, 2013, 075420-Download Item:
Abstract:
Density functional theory is used to systematically study the electronic properties of doped MoS2 monolayers, where the dopants are incorporated both via S/Mo substitution or as adsorbates. Among the possible substitutional dopants at the Mo site, Nb is identified as suitable p-type dopant, while Re is the donor with the lowest activation energy. When dopants are simply adsorbed on a monolayer we find that alkali metals shift the Fermi energy into the MoS2 conduction band, making the system n type. Finally, the adsorption of charged molecules is considered, mimicking an ionic liquid environment. We find that molecules adsorption can lead to both n- and p-type conductivity, depending on the charge polarity of the adsorbed species
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Grant Number
Science Foundation Ireland (SFI)
G20267, G20348
Science Foundation Ireland (SFI)
07/IN.1/I945
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http://people.tcd.ie/sanvitosDescription:
PUBLISHED
Author: RUNGGER, IVAN; SANVITO, STEFANO
Sponsor:
Science Foundation Ireland (SFI)Science Foundation Ireland (SFI)
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Physical Review B88
7
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Nanoscience & MaterialsDOI:
http://dx.doi.org/10.1103/PhysRevB.88.075420Metadata
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