Hydrogen Bond Interpenetrated Agarose/PVA Network: A Highly Ionic Conductive and Flame-Retardant Gel Polymer Electrolyte,ACS Applied Materials & Interfaces

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Hydrogen Bond Interpenetrated Agarose/PVA Network: A Highly Ionic Conductive and Flame-Retardant Gel Polymer Electrolyte
ACS Applied Materials & Interfaces ( IF 8.3 ) Pub Date : 2021-02-17 , DOI: 10.1021/acsami.0c20702
Tingting Yan ₁ , Yihui Zou ₁ , Xiaohui Zhang ₁ , Daohao Li ₁ , Xiangxin Guo ₁ , Dongjiang Yang _{1,

2}

Affiliation

The gel polymer electrolyte (GPE) is the key to assembling high-performance solid-state supercapacitors (SSCs). The commercial poly(vinyl alcohol) (PVA) GPE has developed a reputation due to low ionic conductivity endowed by its high crystallinity and poor water retention capacity. In this work, density functional theory (DFT) calculations first revealed that the high crystallinity of PVA can be greatly disrupted by forming hydrogen bonds with natural agarose macromolecules. The hydrogen bond interpenetrated three-dimensional agarose/PVA network offers high water retention and large amounts of channels for movement of Li⁺ on hydroxyl oxygen atoms. So, an optimized formation of the Li–O coordinate bond (g_Li–O(r) = 8.78) and improved diffusion coefficient of Li⁺ (D_Li⁺) (71 × 10^–6 cm² s^–1) were obtained in the agarose/PVA model. When assembled into SSCs, agarose/PVA-GPE with 2 M LiOAc (AP-GPE) exhibits an outstanding specific capacitance (697.22 mF cm^–2 at 5 mA cm^–2). The high water retention of agarose and large amounts of −OH groups in the agarose macromolecular can generate H₂O by dehydration reaction, reducing the flammability of PVA and greatly enhancing the safety of SSCs.

中文翻译：

氢键互穿琼脂糖/ PVA网络：高离子导电和阻燃凝胶聚合物电解质

凝胶聚合物电解质（GPE）是组装高性能固态超级电容器（SSC）的关键。商用聚乙烯醇（PVA）GPE因其高结晶度和较差的保水能力而具有低离子电导率而闻名。在这项工作中，密度泛函理论（DFT）的计算首次显示，通过与天然琼脂糖大分子形成氢键，可以大大破坏PVA的高结晶度。氢键互穿的三维琼脂糖/ PVA网络提供高保水性和大量通道，使Li ⁺在羟基氧原子上移动。因此，可以优化形成Li–O配位键（g _Li–O（r）= 8.78）和改善Li的扩散系数在琼脂糖/ PVA模型中获得了⁺（D _{Li ⁺}）（71×10 ^–6 cm ² s ^–1）。当组装成的SSC，琼脂糖/ PVA-GPE用2M LiOAc（AP-GPE）表现出杰出的比电容（697.22 mF及其厘米^-2以5mA厘米^-2）。琼脂糖的高保水性和琼脂糖大分子中的大量-OH基可通过脱水反应生成H ₂ O，降低了PVA的可燃性，并大大提高了SSC的安全性。

更新日期：2021-03-03

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