Electronic, Energetic and Chemical Effects of Intrinsic Defects and Fe-Doping of CoAl2O4: A DFT+U Study

Research output: Contribution to journalArticlepeer-review

Original languageAmerican English
Pages (from-to)12044-12050
Number of pages7
JournalJournal of Physical Chemistry C
Volume112
DOIs
StatePublished - 2008

NREL Publication Number

  • NREL/JA-520-42582

Keywords

  • density functional theory
  • hydrogen production
  • spinel
  • transition metal oxides

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