吸附
碳纳米管
密度泛函理论
化学
镧系元素
氧气
材料科学
吸附
无机化学
计算化学
碳纤维
物理化学
纳米技术
有机化学
复合材料
离子
复合数
作者
Xiangxue Wang,Shubin Yang,Wei‐Qun Shi,Jiaxing Li,Tasawar Hayat,Xiangke Wang
标识
DOI:10.1021/acs.est.5b02679
摘要
Herein the sorption of Eu(III) and (243)Am(III) on multiwalled carbon nanotubes (CNTs) are studied, and the results show that Eu(III) and (243)Am(III) could form strong inner-sphere surface complexes on CNT surfaces. However, the sorption of Eu(III) on CNTs is stronger than that of (243)Am(III) on CNTs, suggesting the difference in the interaction mechanisms or properties of Eu(III) and (243)Am(III) with CNTs, which is quite different from the results of Eu(III) and (243)Am(III) interaction on natural clay minerals and oxides. On the basis of the results of density functional theory calculations, the binding energies of Eu(III) on CNTs are much higher than those of (243)Am(III) on CNTs, indicating that Eu(III) could form stronger complexes with the oxygen-containing functional groups of CNTs than (243)Am(III), which is in good agreement with the experimental results of higher sorption capacity of CNTs for Eu(III). The oxygen-containing functional groups contribute significantly to the uptake of Eu(III) and (243)Am(III), and the binding affinity increases in the order of ≡S-OH < ≡S-COOH < ≡S-COO(-). This paper highlights the interaction mechanism of Eu(III) and (243)Am(III) with different oxygen-containing functional groups of CNTs, which plays an important role for the potential application of CNTs in the preconcentration, removal, and separation of trivalent lanthanides and actinides in environmental pollution cleanup.
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