Computational characterization of halogen vapor attachment, diffusion and desorption processes in zeolitic imidazolate framework-8
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DOI: 10.1038/s41598-020-59871-x
Abstract: Computational simulation methods are used for characterizing the detailed attachment, diffusion and desorption of halogen vapor molecules in zeolitic imidazolate framework-8 (ZIF-8). The attachment energies of Cl 2 , Br 2 and I 2 are… read more here.
Keywords: framework; attachment diffusion; desorption processes; halogen ... See more keywords