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The Effect of Surface Composition on the Selective Capture of Atmospheric CO(2) by ZIF Nanoparticles: The Case of ZIF-8

[Image: see text] We performed theoretical studies of CO(2) capture in atmospheric conditions by the zeolitic imidazolate framework-8 (ZIF-8) via classical Monte Carlo (MC) simulations with Metropolis sampling and classical molecular dynamics (MD) simulations in the NVT and NPT ensembles and differe...

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Detalles Bibliográficos
Autores principales:	Vendite, Alexsander C., Soares, Thereza A., Coutinho, Kaline
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2022
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9795550/ https://www.ncbi.nlm.nih.gov/pubmed/36149374 http://dx.doi.org/10.1021/acs.jcim.2c00579

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