Effect of metal doping, boron substitution and functional groups on hydrogen adsorption of MOF-5: A DFT-D study

Computational and Theoretical Chemistry

Volumn 1044, Issue , 2014, Pages 36-43

  Lotfi, R ^a   Saboohi, Y ^a  

^a SHARIF UNIVERSITY OF TECHNOLOGY   (Iran)

Author keywords

Binding energy; DFT; Hydrogen adsorption; Metal organic framework (MOF)

Indexed keywords

EID: 84903829136     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2014.05.012     Document Type: Article

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