PbZr0.7Ti0.3O3 cubes with tunable sizes and cuboids have been hydrothermally synthesized. PbZrTiO3 cubes with three different Zr : Ti atomic percentages were also prepared. Analysis of synchrotron X-ray diffraction (XRD) patterns reveals the presence of two lattice components for these samples. Fast Fourier Transform (FFT) processing of high-resolution transmission electron microscopy (HR-TEM) images shows discernible lattice spot differences between the inner bulk and surface layer region for a PbZr0.7Ti0.3O3 cube, while a cuboid has distinct lattice spot deviations. The lattice variations yield different dielectric constant numbers for these two samples, despite being bound by the same crystal faces. The PbZrTiO3 crystals give size- and composition-dependent band gaps. Cuboids show notably larger piezoelectric and ferroelectric responses than cubes. Piezoelectric nanogenerators (PENGs) containing 30 wt% cuboids produce the highest open-circuit voltage of 20.36 V and short-circuit current of 2300 nA. The PENGs harvest energy through bending/releasing cycles to power devices and show photothermal pyroelectric activity. Moreover, a single 30 wt% cuboid PENG device integrated into a shoe insole can deliver an impressive 96.8% accuracy for human motion detection using a machine learning approach. This work illustrates that considerable lattice variation through crystal shape control is effective in enhancing material properties.
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