A molecular study of humid CO2 adsorption capacity by Mg-MOF-74 surfaces with ligand functionalization

标题
A molecular study of humid CO2 adsorption capacity by Mg-MOF-74 surfaces with ligand functionalization
作者
关键词
Carbon dioxide, Competitive adsorption, Metal organic frameworks, Molecular dynamics, Ligand functionalization
出版物
COMPUTATIONAL MATERIALS SCIENCE
Volume 209, Issue -, Pages 111407
出版商
Elsevier BV
发表日期
2022-04-03
DOI
10.1016/j.commatsci.2022.111407

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