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• W2970293727 endingPage "104058" @default.
• W2970293727 startingPage "104058" @default.
• W2970293727 abstract "MXenes have currently drawn considerable attention in functional materials and energy storages, because of their versatile and excellent properties. However, few works have been made on Mxenes' piezoelectricity. Applying the density-functional theory, we show that M 2 CO 2 (M = Sc, Y, La) MXenes possess large Poisson's ratio and in-plane piezoelectricity comparable to that of 2H-MoS 2 . Furthermore, M 2 CO 2 MXenes have strong out-of-plane piezoelectricity, which is highly desirable for ultrathin piezoelectric devices (cantilever and diaphragm) with the d 31 operating mode. For a MXene diaphragm the piezoelectricity-generated charges mainly concentrate in six areas, which are determined by the lattice symmetry. In particular, the in-plane piezoelectric charges are localized near the circular clamped boundary, whereas the out-of-plane piezoelectric charges are inside the pressure-induced bubble. Our observations propose a realistic way to collect the piezoelectricity-induced charges, making these systems very promising for energy harvesting and piezoelectric sensing. The piezoelectricity, electronic structures and mechanical properties of M 2 CO 2 MXenes are revealed by the first-principle calculations. Compared with other 2D materials, M 2 CO 2 MXenes possess a higher vertical piezoelectricity and hence are suitable for ultrathin piezoelectric devices with d 31 mode. The piezoelectric response analyses are further developed in MXene cantilever and diaphragm by virtue of the mechanical plate theory. The simulations shed new light on MXenes’ energy harvesting and piezoelectric sensing applications. • M 2 CO 2 MXenes possess large in-plane piezoelectricity and stronger out-of-plane piezoelectricity. • M 2 CO 2 MXenes have large Poisson's ratios, high elastic deformation range and relatively large band gaps. • The out-of-plane piezoelectric response theories have been developed for both MXene cantilever and diaphragm." @default.
• W2970293727 created "2019-09-05" @default.
• W2970293727 creator A5037083362 @default.
• W2970293727 creator A5038884290 @default.
• W2970293727 creator A5047568776 @default.
• W2970293727 creator A5049949505 @default.
• W2970293727 creator A5052554493 @default.
• W2970293727 creator A5071598550 @default.
• W2970293727 creator A5075523709 @default.
• W2970293727 creator A5083090268 @default.
• W2970293727 date "2019-11-01" @default.
• W2970293727 modified "2023-10-14" @default.
• W2970293727 title "Large out-of-plane piezoelectricity of oxygen functionalized MXenes for ultrathin piezoelectric cantilevers and diaphragms" @default.
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