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Zinc Oxide (ZnO) nanoscale nanowires (NW) and pillars exhibit substantial size-effects in mechanical properties as a function of diameter D, which enables their exploitation for nanotechnology purposes. Both elastic (i.e. the Young's Modulus, E) and fracture properties of ZnO nanostructures are key and need to be characterized for the sake of designing MEMS and NEMS, such as nanogenerators based on...
The piezoelectric properties of [0001]-oriented ZnO nanowires are investigated via density functional theory (DFT). The axial effective piezoelectric coefficient of ZnO nanowires is significantly greater than the bulk value, and the coefficient increases as the nanowire size decreases. It is proved that the enhancement comes from both the reduction of volume per Zn-O pair and the enhancement of the...
We investigated the piezoelectric coefficient, $$e_{33} $$ e 33 , of ZnO nanowires, subdividing it into an ionic term, $$e_{33}^{\text {ion}} $$ e 33 ion , and an electronic term, $$e_{33}^{\text {el}} $$ e 33 el , and calculated the effects of different diameters on its value using ab initio density functional theory calculations. The $$e_{33}^{\text {ion}} $$...
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