Investigation of structural, electronic and magnetic properties of breathing metal-organic framework MIL-47(Mn): a first principles approach

Mohammadreza Hosseini, Danny E. P. Vanpoucke, Paolo Giannozzi, Masoud Berahman, Nasser Hadipour*

*Corresponding author for this work

Research output: Contribution to journalArticleAcademicpeer-review

Original languageEnglish
Pages (from-to)4786-4794
Number of pages9
JournalRSC Advances
Volume10
Issue number8
DOIs
Publication statusPublished - 28 Jan 2020

Keywords

  • EXTENDING HIRSHFELD-I
  • PHASE ADSORPTION
  • SEPARATION
  • CRYSTAL
  • MIL-53
  • CO2
  • MN
  • TRANSITION
  • DIVERSITY
  • CHEMISTRY

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