|Title:||Theoretical study of defect impact on two-dimensional MoS2|
|Authors:||Borisenko, V. E.|
Krivosheeva, A. V.
Shaposhnikov, V. L.
Lazzari, J. L.
Tay, B. K.
Борисенко, В. Е.
Кривошеева, А. В.
Шапошников, В. Л.
|Publisher:||Institute of Physics|
|Citation:||Theoretical study of defect impact on two-dimensional MoS2 / A V.Krivosheeva [ and others] // Journal of Semiconductors . - 2015 . - № 36 (12). - 6 p.|
|Abstract:||Our theoretical findings demonstrate for the first time a possibility of band-gap engineering of monolayer MoS2 crystals by oxygen and the presence of vacancies. Oxygen atoms are revealed to substitute sulfur ones, forming stable MoS2-xOx ternary compounds, or adsorb on top of the sulfur atoms. The substituting oxygen provides a decrease of the band gap from 1.86 to 1.64 eV and transforms the material from a direct-gap to an indirect-gap semiconductor. The surface adsorbed oxygen atoms decrease the band gap up to 0.98 eV depending on their location tending to the metallic character of the electron energy bands at a high concentration of the adsorbed atoms. Oxygen plasma processing is proposed as an effective technology for such band-gap modifications.|
|Appears in Collections:||Публикации в зарубежных изданиях|
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