Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1591428 | Solid State Communications | 2015 | 6 Pages |
Abstract
The properties of MoS2 quantum dots are mainly ruled by the edge structures and shapes. We systematically explore structural stability, shapes and magnetic properties of different MoS2 quantum dots with different chemical potential of sulfur using the first principles. Three possible stable edge structures corresponding to different chemical potential of sulfur are confirmed. These edge structures are combined into different shapes of MoS2 quantum dots which is changed with sulfur chemical potential. The electronic structure calculation and the partial charge analysis indicate that the MoS2 quantum dot with armchair edge might have better catalyze ability. These MoS2 quantum dots show different magnetic behavior, which can adapt to different needs of spin devices. Given the recent achievement of graphene quantum dot structures and MoS2 quantum dots experimental study, we believe that our calculated results are suitable for experimental verification and can be useful to preparing different shapes of MoS2 quantum dots.
Related Topics
Physical Sciences and Engineering
Materials Science
Materials Science (General)
Authors
Liang Pei, Shen Tao, Shu Haibo, Xing Song,