Integrating the (311) facet of MnO2 and the fuctional groups of poly(m-phenylenediamine) in core-shell MnO2@poly(m-phenylenediamine) adsorbent to remove Pb ions from water
Integrating the (311) facet of MnO2 and the fuctional groups of poly(m-phenylenediamine) in core-shell MnO2@poly(m-phenylenediamine) adsorbent to remove Pb ions from water
复制标题
将MnO2的(311)面和聚间苯二胺的官能团集成在核壳MnO2@聚间苯二胺吸附剂中去除水中的Pb离子
DOI：
10.1016/j.jhazmat.2020.122154
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发表时间：
2020
影响因子：
13.6
通讯作者：
Cao Xuyang
中科院分区：
文献类型：
--
作者：
Xiong Ting;Yuan Xingzhong;Wang Hou;Jiang Longbo;Wu Zhibin;Wang Han;Cao Xuyang
暴露的活性面和官能团对于吸附剂获得优异的吸附性能是至关重要的。在本研究中，成功地制备了具有暴露的活性面的MnO2@PmPD。KMnO_4经牺牲还原剂PmPD还原生成MnO_2，并沉积在PmPD表面。同时，结合实验研究和理论计算，阐明了MnO2@PmPD对Pb的独特吸附性质。MnO2@PmPD对Pb的表面吸附是通过Pb与MnO 2表面O原子之间的相互作用实现的。DFT计算结果表明，MnO 2对Pb的吸附是面依赖的.各晶面对Pb的吸附亲和力顺序为（311）>（111）>（400）>（440），（311）晶面是Pb的主要吸附位。偏态密度分析表明，MnO 2的Pb-p态和O-p态之间存在较强的杂化。此外，MnO 2的孔隙为Pb向PmPD的迁移提供了间隙通道。进入MnO2@PmPD内部的Pb通过PmPD上的胺和新形成的羧基键合。本研究不仅开发了一种高效的重金属吸附剂，而且为研究MnO 2基材料与Pb的相互作用提供了参考。
Exposed active facets and functional groups are critical for adsorbents obtaining excellent adsorption properties. In the present study, MnO2@PmPD with exposed active facets was successfully prepared. MnO2,which came from KMnO4by the sacrificial reductant of PmPD, deposited on the surface of PmPD. Meanwhile, we combined experimental study and theoretical calculations to elucidate the distinct adsorption nature of MnO2@PmPD towards Pb. The surface adsorption of MnO2@PmPD toward Pb was achieved by the interaction between Pb and O atoms on the surface of MnO2. The DFT calculations revealed the facet-dependent adsorption of MnO2toward Pb. The adsorption affinity of facets toward Pb was in the order of (311) > (111) > (400) > (440), and (311) facet was predominantly adsorption site for Pb. The analysis of partial density of state revealed the strong hybridization between the Pb-p state and O-p states of MnO2. Additionally, the pores of MnO2provide the interstitial channels for the transportation of Pb into PmPD. The Pb entered the internal of MnO2@PmPD was bonded by the amine and newly formed carboxy groups on PmPD. This study not only develops an efficient adsorbent for heavy metals removing, but also throws light on exemplifying the interaction of Pb with MnO2based materials.