Enhancement of Lithium-Ion Transport in Poly(acrylonitrile) with Hydrogen Titanate Nanotube Fillers as Solid Polymer Electrolytes for Lithium-Ion Battery Applications,The Journal of Physical Chemistry C

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Enhancement of Lithium-Ion Transport in Poly(acrylonitrile) with Hydrogen Titanate Nanotube Fillers as Solid Polymer Electrolytes for Lithium-Ion Battery Applications
The Journal of Physical Chemistry C ( IF 3.3 ) Pub Date : 2018-01-17 00:00:00 , DOI: 10.1021/acs.jpcc.7b10725
Fernando Pignanelli ₁ , Mariano Romero ₁ , Ricardo Faccio ₁ , Luciana Fernández-Werner ₁ , Alvaro W. Mombrú ₁

Affiliation

In the present work, we report the enhancement of lithium-ion dissociation and transport in poly(acrylonitrile) host promoted by the addition of hydrogen titanate nanotube fillers for solid polymer electrolytes. We show experimental and theoretical evidence of lithium perchlorate dissociation due to the presence of the acidic hydrogen titanate nanotubes embedded in the polymer matrix. We performed confocal Raman microscopy analysis to reveal the presence of lithium perchlorate dissociation at the interface of polymer and nanotube fillers. The large affinity of perchlorate anions at the hydrogen titanate nanotube surface, as envisaged from the ab initio molecular dynamics simulations, could be responsible for the enhancement of more than 2 orders of magnitude in the lithium conductivity, reaching ∼4 × 10^–4 S·cm⁻¹ for a certain amount of nanotube fillers addition.

中文翻译：

钛酸氢盐纳米管填充物作为锂离子电池应用中的固体聚合物电解质，可增强聚丙烯腈中锂离子的传输

在目前的工作中，我们报告了通过添加用于固体聚合物电解质的钛酸氢纳米管填料促进了聚丙烯腈主体中锂离子解离和运输的增强。我们显示出由于嵌入聚合物基体中的酸性钛酸氢纳米管的存在而导致高氯酸锂解离的实验和理论证据。我们进行了共聚焦拉曼显微镜分析，以揭示在聚合物和纳米管填料的界面处高氯酸锂离解的存在。从头算分子动力学模拟可以看出，钛酸氢纳米管表面高氯酸根阴离子的亲和力大，可导致锂电导率提高2个数量级以上，达到约4×10 ^-4 S·厘米^-1用于添加一定量的纳米管填料。

更新日期：2018-01-17

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