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

Internet

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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