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首页> 外文期刊>Environmental Science & Technology >Facet-Dependent Cr(Ⅵ) Adsorption of Hematite Nanocrystals
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Facet-Dependent Cr(Ⅵ) Adsorption of Hematite Nanocrystals

机译：赤铁矿纳米晶的面依赖性Cr（Ⅵ）吸附

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摘要

In this study, the adsorption process of Cr(Ⅵ) on the hematite facets was systematically investigated with synchrotron-based Cr K-edge extended X-ray absorption fine structure (EXAFS) spectroscopy, in situ attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy, density-functional theory calculation, and surface complication models. Structural model fitting of EXAFS spectroscopy suggested that the interatomic distances of Cr-Fe were, respectively, 3.61 A for the chromate coordinated hematite nanoplates with exposed {001} facets, 3.60 and 3.30 A for the chromate coordinated hematite nanorods with exposed {001} and {110} facets, which were characteristic of inner-sphere complexab'on. In situ ATR-FTIR spectroscopy analysis confirmed the presence of two inner-sphere surface complexes with C_(3v) and C_(2v) symmetry, while the C_(3v) and C_(2v) species were assigned to monodentate and bidentate inner-sphere surface complexes with average Cr-Fe interatomic distances of 3.60 and 3.30 A, respectively. On the basis of these experimental and theoretical results, we concluded that HCrO_4~- as dominated Cr(Ⅵ) species was adsorbed on {001} and {110} facets in inner-sphere monodentate mononudear and bidentate binuclear configurations, respectively. Moreover, the Cr(Ⅵ) adsorption performance of hematite facets was strongly dependent on the chromate complexes formed on the hematite facets.
机译：本研究利用同步加速器基Cr K边缘扩展X射线吸收精细结构（EXAFS）光谱，原位衰减全反射傅立叶变换红外光谱（ATR-），系统地研究了Cr（Ⅵ）在赤铁矿小面上的吸附过程。 FTIR）光谱，密度泛函理论计算和表面复杂度模型。 EXAFS光谱的结构模型拟合表明，具有{001}刻面的铬酸盐配位赤铁矿纳米板的Cr-Fe的原子间距离分别为3.61 A，具有{001}和暴露的铬酸盐配位赤铁矿纳米棒的3.60和3.30A。 {110}刻面，它们是内球复杂性的特征。原位ATR-FTIR光谱分析证实存在两个具有C_（3v）和C_（2v）对称性的内球表面复合物，而C_（3v）和C_（2v）物种被指定为单齿和双齿内球表面复合物的平均Cr-Fe原子间距离分别为3.60和3.30A。根据这些实验和理论结果，我们得出结论，以HCrO_4〜-为主导的Cr（Ⅵ）分别以内球单齿单核和双齿双核构型吸附在{001}和{110}面上。而且，赤铁矿晶面对Cr（Ⅵ）的吸附性能强烈依赖于在赤铁矿晶面上形成的铬酸盐配合物。

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  • 来源
    《Environmental Science & Technology》 |2016年第4期|1964-1972|共9页
  • 作者

    Xiaopeng Huang; Xiaojing Hou; Fahui Song; Jincai Zhao; Lizhi Zhang;

  • 作者单位

    Key Laboratory of Pesticide & Chemical Biology of Ministry of Education, Institute of Environmental Chemistry, College of Chemistry, Central China Normal University, Wuhan 430079, People's Republic of China;

    Key Laboratory of Pesticide & Chemical Biology of Ministry of Education, Institute of Environmental Chemistry, College of Chemistry, Central China Normal University, Wuhan 430079, People's Republic of China;

    Key Laboratory of Pesticide & Chemical Biology of Ministry of Education, Institute of Environmental Chemistry, College of Chemistry, Central China Normal University, Wuhan 430079, People's Republic of China;

    Key Laboratory of Pesticide & Chemical Biology of Ministry of Education, Institute of Environmental Chemistry, College of Chemistry, Central China Normal University, Wuhan 430079, People's Republic of China;

    Key Laboratory of Pesticide & Chemical Biology of Ministry of Education, Institute of Environmental Chemistry, College of Chemistry, Central China Normal University, Wuhan 430079, People's Republic of China;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);美国《化学文摘》(CA);
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