تقرير
Ab-initio study on the possible doping strategies for MoS$_2$ monolayers
| العنوان: | Ab-initio study on the possible doping strategies for MoS$_2$ monolayers |
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| المؤلفون: | Dolui, Kapildeb, Rungger, Ivan, Pemmaraju, Chaitanya Das, Sanvito, Stefano |
| المصدر: | Phys. Rev. B 88, 075420 (2013) |
| سنة النشر: | 2013 |
| المجموعة: | Condensed Matter |
| مصطلحات موضوعية: | Condensed Matter - Materials Science |
| الوصف: | Density functional theory is used to systematically study the electronic and magnetic properties of doped MoS$_2$ 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 MoS$_2$ 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. Comment: 9 Pages, 12 figures |
| نوع الوثيقة: | Working Paper |
| DOI: | 10.1103/PhysRevB.88.075420 |
| URL الوصول: | http://arxiv.org/abs/1304.8056 |
| رقم الأكسشن: | edsarx.1304.8056 |
| قاعدة البيانات: | arXiv |
| DOI: | 10.1103/PhysRevB.88.075420 |
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