January 1, 2021Open Access

Computational modelling of adsorption and diffusion properties of CO2 and CH4 in ZIF-8 for gas separation applications: a density functional theory approach

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Understanding of zeolitic imidazolate framework-8 (ZIF-8) interaction with different gas molecules is crucial when ZIF-8 is used in gas separation.

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Paudel et al. (Fri,) studied this question.

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