Lee, Yu Ri Do, Xuan Huy Cho, Kie Yong Jeong, Keunhong Baek, Kyung-Youl 2024-01-19T16:31:08Z 2024-01-19T16:31:08Z 2021-09-02 2020-10-23 2574-0970 https://pubs.kist.re.kr/handle/201004/117980 The efficient removal of radioactive iodine (I-2) has drawn worldwide attention because of the severe effects of radiotoxicity on the environment and human health. As a result, efficient porous materials for the capture and safe storage of radioactive iodine are required. In this work, nanoscale zeolitic imidazolate framework-8 (ZIF-8) and its amino-functionalized ZIF-8 derivatives with 3-amino-1,2,4-triazole (Atz), denoted as ZIF8-A, were prepared via postsynthetic modification, and their performance for I-2 removal from n-hexane was investigated. The abundant amine functionalities in the ZIF8-A structure including the primary and secondary amine groups (-NH2 and -NH) and triazole-ring (-C=N-NH-) not only serve as effective adsorption sites but also form strong interactions with I-2 via electron transfer from the nitrogen atom of the ligand to I-2. The adsorption isotherms and the kinetics were well fitted by the Langmuir model and the pseudo-second-order kinetic model, respectively, suggesting a monolayer chemisorption process. ZIF8-A61 achieved an adsorption capacity of more than 870% compared to the pristine ZIF-8. Based on the experimental and computational results, a plausible mechanism for the adsorption of I-2 on ZIF8-A nanocrystals is proposed by considering the host-guest interactions, specifically, those between the amine functional groups and I-2. In addition, the reusability and structural stability of the adsorbents were investigated. English AMER CHEMICAL SOC METAL-ORGANIC FRAMEWORKS HIGHLY EFFICIENT CAPTURE REMOVAL MOFS SORBENTS HYDROGEN ZR Amine-Functionalized Zeolitic Imidazolate Framework-8 (ZIF-8) Nanocrystals for Adsorption of Radioactive Iodine Article 10.1021/acsanm.0c01914 1 ACS APPLIED NANO MATERIALS, v.3, no.10, pp.9852 - 9861 ACS APPLIED NANO MATERIALS 3 10 9852 9861 scie scopus 000583331600091 2-s2.0-85096876983 Nanoscience & Nanotechnology Materials Science, Multidisciplinary Science & Technology - Other Topics Materials Science Article METAL-ORGANIC FRAMEWORKS HIGHLY EFFICIENT CAPTURE REMOVAL MOFS SORBENTS HYDROGEN ZR iodine adsorption ZIF-8 amine functionalization density functional theory electron-transfer complex