Computational screening and functional tuning of chemically stable metal organic frameworks for I2/CH3I capture in humid environments
Summary: High chemical stability is of vital significance in rendering metal organic frameworks (MOFs) as promising adsorbents for capturing leaked radioactive nuclides, under real nuclear industrial conditions with high humidity. In this work, grand canonical Monte Carlo (GCMC) and density function...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2024-03-01
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| Series: | iScience |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2589004224003171 |