Molecular-fingerprint machine-learning-assisted design and prediction for high-performance MOFs for capture of NMHCs from air
The capture of trace amounts of non-methane hydrocarbons (NMHCs) from air due to the toxicity of volatile organic compounds is a significant challenge. A total of 31399 hydrophobic metal–organic frameworks (MOFs) were first screened from 137953 hypothetical MOFs using high-throughput computational s...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
KeAi Communications Co. Ltd.
2022-07-01
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| Series: | Advanced Powder Materials |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2772834X21000269 |