标题：Experimental and simulation-based understanding of morphology controlled barium titanate nanoparticles under co-adsorption of surfactants
作者：Sun, Zhongyu; Zhang, Lei; Dang, Feng; Liu, Yao; Fei, Zhiying; Shao, Qian; Lin, Hong; Guo, Jiang; Xiang, Lichen; Yerra, Narendranath; 更多 作者机构：[Sun, Zhongyu; Zhang, Lei; Dang, Feng; Liu, Yao] Shandong Univ, Minist Educ, Key Lab Liquid Solid Struct Evolut & Proc Mat, Jinan 250061, Peoples R Ch 更多
通讯作者：Dang, F;Liu, Y;Guo, ZH
通讯作者地址：[Dang, F; Liu, Y]Shandong Univ, Minist Educ, Key Lab Liquid Solid Struct Evolut & Proc Mat, Jinan 250061, Peoples R China;[Guo, ZH]Univ Tennessee, Dep 更多
摘要：Well dispersed single-crystalline BaTiO3 nanoparticles with controlled morphologies were synthesized using a thermohydrolysis route. The nanoparticles were tuned from spherical 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 the Ti-O terminated surface; meanwhile, oleic acid molecules tended to adsorb on the Ba position of the Ba-O terminated surface. The added hydrazine changed the formation mechanism of BaTiO3 nanoparticles from an in situ growth to a dissolution-precipitation growth. Excellent dispersibility in aqueous solution was achieved for the BaTiO3 nanoparticles under the assistance of hydrazine. Meanwhile, a 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.