Piezoelectricity enhancement and bandstructure modification of atomic defect-mediated MoS2 monolayer

文献情報

出版日 2017-08-15

DOI 10.1039/C7CP04385F

インパクトファクター 3.676

著者

Sheng Yu, Quinton Rice, Tikaram Neupane, Bagher Tabibi, Qiliang Li, Felix Jaetae Seo

原文を見る

要旨

Piezoelectricity appears in the inversion asymmetric crystal that converts mechanical deformation to electricity. Two-dimensional transition metal dichalcolgenide (TMDC) monolayers exhibit the piezoelectric effect due to inversion asymmetry. The intrinsic piezoelectric coefficient (e11) of MoS2 is ∼298 pC m−1. For the single atomic shift of Mo of 20% along the armchair direction, the piezoelectric coefficient (e11) of MoS2 with 5 × 5 unit cells was enhanced up to 18%, and significantly modified the band structure. The single atomic shift in the MoS2 monolayer also induced new energy levels inside the forbidden bandgap. The defect-induced energy levels for a Mo atom shift along the armchair direction are relatively deeper than that for a S atom shift along the same direction. This indicates that the piezoelectricity and band structure of MoS2 can be engineered by a single atomic shift in the monolayer with multi unit cells for piezo- and opto-electric applications.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

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