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| Content Provider | World Health Organization (WHO)-Global Index Medicus |
|---|---|
| Author | Bo, Tao Wu, Qun-Yan Zhang, Yu-Juan Wang, Lin Chai, Zhi-Fang Lan, Jian-Hui Wang, Cong-Zhi Shi, Wei-Qun |
| Description | Author Affiliation: Zhang YJ ( School of Materials Science and Engineering, University of Science and Technology Beijing, 100083 Beijing, China); Lan JH ( Laboratory of Nuclear Energy Chemistry and Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety, Institute of High Energy Physics, Chinese Academy of Sciences, 100049 Beijing, China.); Wang L ( Laboratory of Nuclear Energy Chemistry and Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety, Institute of High Energy Physics, Chinese Academy of Sciences, 100049 Beijing, China.); Wu QY ( Laboratory of Nuclear Energy Chemistry and Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety, Institute of High Energy Physics, Chinese Academy of Sciences, 100049 Beijing, China.); Wang CZ ( Laboratory of Nuclear Energy Chemistry and Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety, Institute of High Energy Physics, Chinese Academy of Sciences, 100049 Beijing, China.); Bo T ( Laboratory of Nuclear Energy Chemistry and Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety, Institute of High Energy Physics, Chinese Academy of Sciences, 100049 Beijing, China.); Chai ZF ( Laboratory of Nuclear Energy Chemistry and Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety, Institute of High Energy Physics, Chinese Academy of Sciences, 100049 Beijing, China); Shi WQ ( Laboratory of Nuclear Energy Chemistry and Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety, Institute of High Energy Physics, Chinese Academy of Sciences, 100049 Beijing, China. Electronic address: shiwq@ihep.ac.cn.) |
| Abstract | In this work, hydroxylated titanium carbide Ti3C2(OH)2, a representative of the two-dimensional transition metal carbides, has been predicted to be an effective adsorbent for uranyl ions in aqueous environments for the first time using density functional theory simulations. The calculations revealed that the uranyl ion can strongly bind with Ti3C2(OH)2 nanosheet in aqueous solution regardless of the presence of anionic ligands such as OH(-), Cl(-) and NO3(-). The bidentate coordination of uranyl to the surface is energetically more favorable than other adsorption configurations, and the uranyl ion prefers to bind with the deprotonated O adsorption site rather than the protonated one on the hydroxylated surface. During the adsorption process, the chemical adsorption as well as the formation of hydrogen bonds is the dominant factor. |
| ISSN | 03043894 |
| Journal | Journal of Hazardous Materials |
| Volume Number | 308 |
| e-ISSN | 18733336 |
| Language | English |
| Publisher | Elsevier |
| Publisher Date | 2016-05-05 |
| Publisher Place | Netherlands |
| Access Restriction | One Nation One Subscription (ONOS) |
| Subject Keyword | Discipline Environmental Science Discipline Environmental Chemistry |
| Content Type | Text |
| Resource Type | Article |
| Subject | Environmental Chemistry Pollution Waste Management and Disposal Health, Toxicology and Mutagenesis Environmental Engineering |
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