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Ferrocene-functionalized covalent organic framework exceeding the ultimate hydrogen storage targets: a first-principles multiscale computational study

Djokic, Marcus et al.
arXiv (All) · Papers
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chemical-physicsmaterials-scienceother-condensed-matterstatistical-mechanics
The development of efficient hydrogen storage materials is crucial for advancing the hydrogen economy and meeting the U.S. Department of Energy's targets of 6.5 wt% and 50 g H2/L for automotive applications. We present a computational study of ferrocene-functionalized covalent organic fra
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