We report the H2 uptake properties of six covalent organic frameworks (COFs) from first-principles-based grand canonical Monte-Carlo simulations. The predicted H2 adsorption isotherm is in excellent agreement with the only available experimental result (3.3 vs 3.4 wt % at 50 bar and 77 K for COF-5),
Covalent Organic Frameworks as Exceptional Hydrogen Storage Materials
✍ Scribed by Han, Sang Soo; Furukawa, Hiroyasu; Yaghi, Omar M.; Goddard, William A.
- Book ID
- 120576364
- Publisher
- American Chemical Society
- Year
- 2008
- Tongue
- English
- Weight
- 531 KB
- Volume
- 130
- Category
- Article
- ISSN
- 0002-7863
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