Synergistic vacancy defects and mechanical strain for the modulation of the mechanical, electronic and optical properties of monolayer tungsten disulfide.

作者: Chandra Veer Singh , Zhiwen Chen , Ming Jiang , Lixin Chen , Chan Gao

DOI: 10.1039/D0CP06336C

关键词:

摘要: … defective monolayer TMDs under applied strain have not been adequately studied. Therefore, … The optical properties come from the complex dielectric constant: ε(ω) = ε 1 (ω) + iε 2 (ω), …

参考文章(55)
G. Kresse, D. Joubert, From ultrasoft pseudopotentials to the projector augmented-wave method Physical Review B. ,vol. 59, pp. 1758- 1775 ,(1999) , 10.1103/PHYSREVB.59.1758
John P. Perdew, Kieron Burke, Matthias Ernzerhof, Generalized Gradient Approximation Made Simple Physical Review Letters. ,vol. 77, pp. 3865- 3868 ,(1996) , 10.1103/PHYSREVLETT.77.3865
G. Kresse, J. Furthmüller, Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Computational Materials Science. ,vol. 6, pp. 15- 50 ,(1996) , 10.1016/0927-0256(96)00008-0
Huiling Zheng, Baishun Yang, Dingdi Wang, Ruilin Han, Xiaobo Du, Yu Yan, Tuning magnetism of monolayer MoS2 by doping vacancy and applying strain Applied Physics Letters. ,vol. 104, pp. 132403- ,(2014) , 10.1063/1.4870532
Mingsheng Xu, Tao Liang, Minmin Shi, Hongzheng Chen, Graphene-Like Two-Dimensional Materials Chemical Reviews. ,vol. 113, pp. 3766- 3798 ,(2013) , 10.1021/CR300263A
Hannu-Pekka Komsa, Jani Kotakoski, Simon Kurasch, Ossi Lehtinen, Ute Kaiser, Arkady V. Krasheninnikov, Two-dimensional transition metal dichalcogenides under electron irradiation: defect production and doping. Physical Review Letters. ,vol. 109, pp. 035503- 035503 ,(2012) , 10.1103/PHYSREVLETT.109.035503
Ziliang Ye, Ting Cao, Kevin O’Brien, Hanyu Zhu, Xiaobo Yin, Yuan Wang, Steven G. Louie, Xiang Zhang, Probing excitonic dark states in single-layer tungsten disulphide Nature. ,vol. 513, pp. 214- 218 ,(2014) , 10.1038/NATURE13734
Jian-wei Wei, Zeng-wei Ma, Hui Zeng, Zhi-yong Wang, Qiang Wei, Ping Peng, Electronic and optical properties of vacancy-doped WS2 monolayers AIP Advances. ,vol. 2, pp. 042141- ,(2012) , 10.1063/1.4768261
Damien Voiry, Aditya Mohite, Manish Chhowalla, Phase engineering of transition metal dichalcogenides Chemical Society Reviews. ,vol. 44, pp. 2702- 2712 ,(2015) , 10.1039/C5CS00151J