Numerical simulations of sonochemical production and oriented aggregation of BaTiO3 nanocrystals |
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| Institution: | 1. Department of Hydrodynamic Systems, Faculty of Mechanical Engineering, Budapest University of Technology and Economics, Budapest, Hungary;2. Drittes Physikalisches Institut, Georg-August-Universität Göttingen, Göttingen, Germany;3. Research Group Biomedical Physics, Max Planck Institute for Dynamics and Self-Organization and Institut für Dynamik komplexer Systeme, Georg-August-Universität Göttingen, Göttingen, Germany;1. School of Materials Science and Engineering, Xi''an University of Technology, Xi''an 710048, China;2. Shaanxi Province Key Laboratory of Corrosion and Protection, Xi''an 710048, China |
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| Abstract: | Numerical simulations of sonochemical production and oriented attachment of BaTiO3 nanocrystals are performed in aqueous solution with pH 14. It is suggested that most significant effect of ultrasound is the dissolution of Ti-based gel in aqueous solution. It results in the dissolution-precipitation mechanism in the production of BaTiO3 nanoparticles, while with mechanical stirring without ultrasound it is the in situ mechanism that BaTiO3 is gradually formed on Ti-based gel. The oriented attachment of spherical BaTiO3 nanocrystals occurs by van der Waals torque (Casimir torque). Large aggregates of nanocrystals do not attach with each other as the repulsive double layer interaction is stronger for larger aggregates. For smaller spherical nanocrystals, the alignment of the crystal axes is less accurate due to more significant rotational Brownian motion of the nanocrystals. |
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| Keywords: | Oriented attachment Van der Waals torque Electric dipole-dipole interaction Mesocrystal Ti-based gel |
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