文献类型：期刊文献

英文题名：Structure and properties of electrochemical interfaces with grafting polyelectrolyte: A fluid density functional theory study

作者：Hu, Yuanlong[1,2];Cheng, Jin[3,4];Yao, Sisheng[1,2];Xu, Zheng[3,4];Xu, Xujian[1,2];Wei, Tianhao[1,2];Liu, Honglai[1,2,3,4];Lian, Cheng[1,2,3,4]

机构：[1]East China Univ Sci & Technol, Shanghai Engn Res Ctr Hierarch Nanomat, State Key Lab Chem Engn, Shanghai 200237, Peoples R China;[2]East China Univ Sci & Technol, Sch Chem Engn, Shanghai 200237, Peoples R China;[3]East China Univ Sci & Technol, Frontiers Sci Ctr Materiobiol & Dynam Chem, Shanghai 200237, Peoples R China;[4]East China Univ Sci & Technol, Sch Chem & Mol Engn, Shanghai 200237, Peoples R China

年份：2024

卷号：298

外文期刊名：CHEMICAL ENGINEERING SCIENCE

收录：;EI(收录号：20242316214248);WOS:【SCI-EXPANDED(收录号:WOS:001251436400001)】；

基金：This work was sponsored by the National Key Research and Development Program of China (No. 2022YFA1503501) , the National Natural Science Foundation of China (No. 22378112, 22278127) , Shanghai Pilot Program for Basic Research (No. 22TQ1400100-18) and 21C Innovation Laboratory, Contemporary Amperex Technology Ltd by project No. 21C-368 OP-202312.

语种：英文

外文关键词：Electrochemical interface; Polymerbrush; Electrical double layer; Ionic liquids; Surface modification

摘要：The structure of the electrode/electrolyte interface directly determines electrochemical performance. One effective method for controlling this interface structure is by grafting polyelectrolyte onto the electrode surface, which can significantly alter the double layer structure and enhance electrochemical performance. This study focuses on the graft modification of polyelectrolytes at the electrochemical interface and investigates the impact of the length and density of the grafted polyelectrolyte chain on the structure and capacitance of the electrode/ ionic liquid interface using fluid density functional theory (FDFT). The findings indicate that the grafted polymerbrush disrupts the alternating layer of anions and cations at the conventional interface and exerts an additional adsorption effect on counter ions, thereby reducing the density of freely movable co-ions. Consequently, this process increases the effective charge and capacitance of the interface. The results of this investigation contribute to a deeper comprehension of polyelectrolyte solutions at solid-liquid interfaces and guide the regulation of electrochemical interface properties.