کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5450076 | 1512855 | 2017 | 18 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
A study on monolayer MoS2 doping at the S site via the first principle calculations
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
مواد الکترونیکی، نوری و مغناطیسی
پیش نمایش صفحه اول مقاله
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چکیده انگلیسی
Through the first principle calculation, electronic properties of monolayer MoS2 doped with single, double, triple and tetra-atoms of P, Cl, O, Se at the surface S site are discussed. Among the substitutional dopant, our calculation results show that when P atoms are doped on a monolayer MoS2, a shift in the Fermi energy into the valence band is observed, making the system p-type. Meanwhile, band gap gradually decreases as increasing the number of P atoms. On the contrary, Cl is identified as a suitable n-type dopant. It is observed that Cl for initial three dopant behaved as magnetic and afterwards returned to non-magnetic behavior. The band gap of the Cl doped system is also dwindling gradually. Finally, O and Se doped systems have little effect on electronic properties near band gap. Such doping method at the S site, and the TDOS and PDOSs of each doping system provide a detailed of understanding toward working mechanism of the doped and the intrinsic semiconductors. This doping model opens up an avenue for further clarification in the doping systems as well as other dopant using this method.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica E: Low-dimensional Systems and Nanostructures - Volume 94, October 2017, Pages 47-52
Journal: Physica E: Low-dimensional Systems and Nanostructures - Volume 94, October 2017, Pages 47-52
نویسندگان
Liqiong Zhang, Tianmo Liu, Tengfei Li, Shahid Hussain,