most citedWhat makes zeolitic imidazolate frameworks hydrophobic or hydrophilic? The impact of geometry and functionalization on water adsorption

183 citations · 183 across the 1 of their papers we have counts for

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cond-mat.mtrl-sci2019★ 183 cited

What makes zeolitic imidazolate frameworks hydrophobic or hydrophilic? The impact of geometry and functionalization on water adsorption

Aurélie U. Ortiz, Alexy P. Freitas, Anne Boutin +2

We demonstrate, by means of Grand Canonical Monte Carlo simulation on different members of the ZIF family, how topology, geometry, and linker functionalization drastically affect t…