1. Bowknot-like Zr/La bimetallic organic frameworks for enhanced arsenate and phosphate removal: Combined experimental and DFT studies.
- Author
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Kong, Lingchao, Zhang, Jun, Wang, Yi, Yan, Qinlin, Xu, Jiayu, Quan, Xi, Andrews, Charles B., Zhang, Zuotai, and Zheng, Chunmiao
- Subjects
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PHOSPHATE removal (Water purification) , *ARSENATES , *ADSORPTION capacity , *BODIES of water , *BINDING energy , *POISONS , *ARSENIC - Abstract
[Display omitted] Hazardous oxyanions in water bodies are potentially toxic to aquatic life, and the coexistence of multiple anions aggravates the toxicity. Herein, bowknot-like Zr/La bimetallic organic frameworks (Zr/La-BTC) were developed with superior hazardous oxyanion adsorption capacities, i.e., approximately 102 mg/g for arsenate and 159 mg/g for phosphate, respectively. The molar ratio of Zr to La in Zr/La-BTC plays a significant role in the structure and the adsorption efficiencies. Notably, the experiment-derived adsorption capacities of various Zr/La-BTC samples were consistent with their adsorption energies calculated by density-function theory (DFT). Further mechanism analysis revealed that coordination of Zr/La atoms with the target anion groups occurred during adsorption. The positive shift of binding energies in La 3d and Zr 3d XPS spectra and Bader charge analysis unveiled that back-donation interactions dominated the adsorption process. The reliable adsorption selectivity and reusability of 0.1Zr/La-BTC were verified with anion competition experiments and four adsorption-desorption cycles. Overall, this study provides significant insight into the design of high-performance bimetallic organic frameworks for the enhanced removal of hazardous oxyanions from water. [ABSTRACT FROM AUTHOR]
- Published
- 2022
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