材料科学
共价有机骨架
微型多孔材料
质子
化学物理
共价键
质子输运
热传导
分子动力学
导电体
离子键合
纳米技术
电导率
网络共价键合
化学工程
计算化学
物理化学
离子
化学
有机化学
复合材料
物理
量子力学
工程类
作者
Wenwu Zou,Guoxing Jiang,Weifeng Zhang,Longhai Zhang,Zhiming Cui,Huiyu Song,Zhenxing Liang,Li Du
标识
DOI:10.1002/adfm.202213642
摘要
Abstract Assembling molecular proton carriers into crosslinked networks is widely used to fabricate proton conductors, but they often suffer losses in conduction efficiency and stability accompanied by unclear causes. Covalent organic frameworks (COFs), with well‐defined crystal frameworks and excellent stability, offer a platform for exploring the proton transfer process. Herein, a strategy to construct proton conductors that induce conductivity and stability by introducing bottom‐up hierarchical structure, mass transport interfaces, and host–guest interactions into the COFs is proposed. The proton‐transport platforms are designed to possess hierarchically macro–microporous structure for proton storage and mass transport. The protic ionic liquids, with low proton dissociation energies investigated by DFT calculation, are installed at open channel walls for faster proton motion. As expected, the resultant proton conductors based on a covalent organic framework (PIL 0.5 @m‐TpPa‐SO 3 H) with hierarchical pores increase conductivity by approximately three orders of magnitude, achieving the value of 1.02 × 10 −1 S cm −1 (90 °C, 100% RH), and maintain excellent stability. In addition, molecular dynamics simulations reveal the mechanism of “hydrogen‐bond network” for proton conduction. This work offers a fresh perspective on COF‐based material manufacturing for high‐performance proton conductors via a protocol of macro‐micropores.
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