Ab initio Design of Ca-Decorated Organic Frameworks for High Capacity Molecular Hydrogen Storage with Enhanced Binding: Article No. 033109

Research output: Contribution to journalArticlepeer-review

Original languageAmerican English
Number of pages3
JournalApplied Physics Letters
Volume95
Issue number3
DOIs
StatePublished - 2009

NREL Publication Number

  • NREL/JA-590-46623

Keywords

  • ab initio calculations
  • binding energy
  • calcium compounds
  • density
  • functional theory
  • hydrogen storage

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