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题名: A Combined Experimental and Theoretical Study on the Extraction of Uranium by Amino-Derived Metal Organic Frameworks through Post-Synthetic Strategy
作者: Li, Linnan1;  Ma, Wen1;  Shen, Sensen1;  Huang, Hexiang2;  Bai, Yu1;  Liu, Huwei1
关键词: metal-organic frameworks ;  uranium extraction ;  postsynthetic strategy ;  radioactive water treatment ;  molecular dynamics simulation ;  DFT calculation
刊名: ACS APPLIED MATERIALS & INTERFACES
发表日期: 2016-11-16
DOI: 10.1021/acsami.6b11332
卷: 8, 期:45, 页:31032-31041
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Technology
类目[WOS]: Nanoscience & Nanotechnology ;  Materials Science, Multidisciplinary
英文摘要: A novel carboxyl-functionalized metal organic framework for highly efficient uranium sorption was prepared through a generic postsynthetic strategy, and this MOF's saturation sorption capacity is found to be as high as 314 mg. The preliminary application illustrated that the grafted free-standing carboxyl groups have notably enhanced the sorption of uranyl ions on MIL-101. In addition, we have performed molecular dynamics simulation combined with density functional theory calculations to investigate the molecular insights of uranyl ions binding on MOFs. The high selectivity and easy separation of the as-prepared material have shown tremendous potential for practical applications in the nuclear industry or radioactive water treatment, and the functionalized MOF can be extended readily upon the versatility of click chemistry. This work provides a facile and purposeful approach for developing MOFs toward a highly efficient and selective extraction of uranium(VI) in aqueous solution, and it further facilitates the structure-based design of nanomaterials for radionuclide-containing-medium pretreatment.
关键词[WOS]: MOLECULAR SIMULATION ;  EFFICIENT ENRICHMENT ;  URANYL BINDING ;  WATER ;  ADSORPTION ;  REMOVAL ;  IONS ;  SORPTION ;  PROTEIN ;  FUNCTIONALIZATION
语种: 英语
WOS记录号: WOS:000388429600043
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/150346
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Peking Univ, Beijing Natl Lab Mol Sci, Key Lab Bioorgan Chem & Mol Engn, Inst Analyt Chem,Coll Chem & Mol Engn,Minist Educ, Beijing 100871, Peoples R China
2.China Acad Engn Phys, Inst Mat, Mianyang 621900, Peoples R China

Recommended Citation:
Li, Linnan,Ma, Wen,Shen, Sensen,et al. A Combined Experimental and Theoretical Study on the Extraction of Uranium by Amino-Derived Metal Organic Frameworks through Post-Synthetic Strategy[J]. ACS APPLIED MATERIALS & INTERFACES,2016,8(45):31032-31041.
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