金属有机骨架
电化学
电导率
材料科学
导电体
密度泛函理论
电催化剂
金属
铜
聚合
电极
配体(生物化学)
化学工程
电阻率和电导率
化学
无机化学
氧化还原
物理化学
聚合物
计算化学
复合材料
冶金
吸附
生物化学
受体
电气工程
工程类
作者
Qian Zhao,Jiawei Jiang,Wei Zhao,Shenghua Li,Wenbo Mi,Chun Zhang
标识
DOI:10.1021/acs.jpcc.1c03418
摘要
Two-dimensional conductive porous materials have been used extensively in the fields of electrocatalysis, electrochemical sensing, electronic devices, and so on. Herein, a novel conductive metal–organic framework (MOF) with a Kagome lattice is prepared by the efficient complexation of a C3v-symmetric ligand 2,3,7,8,12,13-hexahydroxyl truxone and a copper ion. This π–d conjugated framework (truxone–Cu) is obtained as a shiny black powder by liquid–liquid interfacial polymerization. It shows the typical characteristics of a semiconductor with a grain conductivity of up to 4.0 mS cm–1 at 30 °C. In order to obtain deep insight into the conduction behavior of the truxone–Cu MOF, density functional theory (DFT) calculations were performed on its periodic unit and give a small energy gap of 0.24 eV. Owing to its good electrical conductivity and the excellent redox reversibility of both the truxone ligand and the metal center, the truxone–Cu MOF-modified electrode was successfully applied to catalyze the oxygen reductive reaction (ORR).
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