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Experimental and Simulation Understanding of Morphology Controlled Barium Titanate Nanoparticles under Co-adsorption of Surfactants

Abstract

Well dispersed single-crystalline BaTiO3 nanoparticles with controlled morphologies were synthesized using a thermohyrolysis route. The nanoparticles were tuned from spheroidal to cubic upon changing the NaOH concentration under a critical molar ratio of oleic acid to hydrazine. Density functional theory (DFT) and molecular dynamics (MD) calculations indicated that hydrazine molecules adsorbed preferably on the Ti position of Ti-O terminated surface; meanwhile, oleic acid molecules tended to adsorb on the Ba position of Ba-O terminated surface. The added hydrazine changed the formation mechanism of BaTiO3 nanoparticles from an in-situ growth to a dissolution–precipitation growth. An excellent dispersibility in aqueous solution was obtained for the BaTiO3 nanoparticles under the assistance of hydrazine. Meanwhile, high-quality self-assembled film with a stable dielectric constant of 30 in the frequency range from 0 Hz to 1 MHz was prepared using the well dispersed BaTiO3 nanoparticles, providing a novel low-temperature route for the fabrication of perovskite films.

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Publication details

The article was received on 09 Feb 2017, accepted on 08 May 2017 and first published on 10 May 2017


Article type: Paper
DOI: 10.1039/C7CE00279C
Citation: CrystEngComm, 2017, Accepted Manuscript
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    Experimental and Simulation Understanding of Morphology Controlled Barium Titanate Nanoparticles under Co-adsorption of Surfactants

    Z. Sun, L. Zhang, F. Dang, Y. Liu, Z. Fei, Q. Shao, H. Lin, J. Guo, L. Xiang, N. Yerra and Z. Guo, CrystEngComm, 2017, Accepted Manuscript , DOI: 10.1039/C7CE00279C

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