溴
离子
吸附
吸收(声学)
水溶液
密度泛函理论
材料科学
氧化还原
选择性
电子转移
扩散
无机化学
化学物理
化学工程
化学
计算化学
物理化学
工程类
复合材料
有机化学
热力学
冶金
催化作用
物理
作者
Wei Zhang,Xiaoyuan Song,Lixia Ling,Zhongde Wang,Xiaogang Hao,Guoqing Guan
标识
DOI:10.1016/j.cej.2022.141213
摘要
The further development of promising electrically switched ion exchange (ESIX) materials with considerable selectivity and large adsorption capacity have been generally concerned in ion removal filed. Herein, a hybrid film with core–shell structure and large lattice spacing, which integrated the virtues of highly adsorptive-selective BiOBr with conductive PPy was explored to be able to synergistically remove bromine ions (Br−) from an aqueous solution by combining density functional theory (DFT) calculations with experiments. The large-area and intimate contact between BiOBr and PPy generate a built-in electric field with quasi one-dimensional charge transfer from BiOBr to PPy, inducing the activation of CC conjugated bonds with the facilitating of the structure stability and electroactivity. Interestingly, the cooperation of PPy could significantly facilitate Br− migration on account of enhancing electroactivity without affecting the adsorption capacity of BiOBr. Meanwhile, BiOBr/PPy exhibits prominent selective capacity towards Br− in the presence of other competing ions, attributing to the shielding effect of PPy, particular electron transfer between Br and Bi, sucking stability and rapid ion kinetic diffusion accelerated by befitting adsorption capacity. Furthermore, the reversible redox process demonstrates that Bi(3−x)+OBr1−x with a Bi-terminated dependent manner could store Br− in the formation of BiOBr through an ESIX procedure (Bi(3−x)+OBr1−x + xBr−↔Bi3+OBr + xe−). It is expected that this study might propel the development of electroactive materials in the ion treatment field.
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