A molecular study of humid CO2 adsorption capacity by Mg-MOF-74 surfaces with ligand functionalization
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Title
A molecular study of humid CO2 adsorption capacity by Mg-MOF-74 surfaces with ligand functionalization
Authors
Keywords
Carbon dioxide, Competitive adsorption, Metal organic frameworks, Molecular dynamics, Ligand functionalization
Journal
COMPUTATIONAL MATERIALS SCIENCE
Volume 209, Issue -, Pages 111407
Publisher
Elsevier BV
Online
2022-04-03
DOI
10.1016/j.commatsci.2022.111407
References
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