Zobrazeno 1 - 3
of 3
pro vyhledávání: '"Shaowei Nie"'
Publikováno v:
Surface Science. 732:122266
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::06407a7b0210d5dcd1f627a7509edc12
https://doi.org/10.1016/j.susc.2023.122266
https://doi.org/10.1016/j.susc.2023.122266
Publikováno v:
Chemical Physics. 553:111380
In this work, the adsorption of Cs(I) on kaolinite basal surfaces has been systematically investigated by density functional theory and ab initio molecular dynamics methods. From the view of adsorption energy, the adsorption configurations of Cs(I) o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::358ec8fc4647e4b79991a261c609262a
https://doi.org/10.1016/j.chemphys.2021.111380
https://doi.org/10.1016/j.chemphys.2021.111380
Publikováno v:
Microporous and Mesoporous Materials. 317:111017
Zeolitic imidazolate frameworks (ZIFs) are considered promising materials to adsorb volatile iodine due to their large surface areas and high thermal/chemical stability. By using density functional theory (DFT), the volatile iodine I2 and CH3I adsorp
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::674c9a7b222f3df123c61cc2b796630a
https://doi.org/10.1016/j.micromeso.2021.111017
https://doi.org/10.1016/j.micromeso.2021.111017