dc.contributor.author | RUNGGER, IVAN | en |
dc.contributor.author | SANVITO, STEFANO | en |
dc.date.accessioned | 2014-01-28T10:19:34Z | |
dc.date.available | 2014-01-28T10:19:34Z | |
dc.date.issued | 2013 | en |
dc.date.submitted | 2013 | en |
dc.identifier.citation | 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- | en |
dc.identifier.other | Y | en |
dc.description | PUBLISHED | en |
dc.description.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 | en |
dc.description.sponsorship | This work is supported by Science Foundation of Ireland
(Grant No. 07/IN.1/I945) and by CRANN. I.R. acknowledges
financial support from the King Abdullah University of
Science and Technology (
ACRAB
project). We thank Trinity
Centre for High Performance Computing (TCHPC) for the
computational resources provided. | en |
dc.format.extent | 075420 | en |
dc.language.iso | en | en |
dc.relation.ispartofseries | Physical Review B | en |
dc.relation.ispartofseries | 88 | en |
dc.relation.ispartofseries | 7 | en |
dc.rights | Y | en |
dc.subject | Physics | en |
dc.title | Possible doping strategies for MoS2 monolayers: An ab initio study | en |
dc.type | Journal Article | en |
dc.type.supercollection | scholarly_publications | en |
dc.type.supercollection | refereed_publications | en |
dc.identifier.peoplefinderurl | http://people.tcd.ie/sanvitos | en |
dc.identifier.rssinternalid | 89876 | en |
dc.identifier.doi | http://dx.doi.org/10.1103/PhysRevB.88.075420 | en |
dc.rights.ecaccessrights | OpenAccess | |
dc.subject.TCDTheme | Nanoscience & Materials | en |
dc.identifier.rssuri | http://prb.aps.org/abstract/PRB/v88/i7/e075420 | en |
dc.contributor.sponsor | Science Foundation Ireland (SFI) | en |
dc.contributor.sponsorGrantNumber | G20267, G20348 | en |
dc.contributor.sponsor | Science Foundation Ireland (SFI) | en |
dc.contributor.sponsorGrantNumber | 07/IN.1/I945 | en |
dc.identifier.uri | http://hdl.handle.net/2262/67907 | |