La-doped activated carbon as high-efficiency phosphorus adsorbent: DFT exploration of the adsorption mechanism

Meng Du,Yueyan Zhang,Zeyi Wang,Mengran Lv, Qian Xu,Zhiqiang Chen,Qinxue Wen,Ang Li

Separation and Purification Technology（2022）

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摘要

•La-doped activated carbon adsorbents were prepared by one-pot hydrothermal method.•The La-AC had excellent adsorption properties within pH = 2–7.•The doping structure enhanced the robustness of the adsorbents.•The molecular configurations of adsorption structures were calculated by DFT.•The main mechanisms were electrostatic attraction and complexation.

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关键词

Lanthanum,Doping modification,Phosphate adsorption,Activated carbon,DFT calculation

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