1000 ) Ca 2 N surface

نویسندگان

  • M. A. Uijttewaal
  • G. A. de Wijs
  • R. A. de Groot
چکیده

Polymer diodes require cathodes that do not corrode the polymer but do have low work function to minimize the electron injection barrier. First-principles calculations demonstrate that the work function of the (1000) surface of the compound Ca 2 N is half an eV lower than that of the elemental metal Ca (2.35 vs. 2.87 eV). Moreover its reactivity is expected to be smaller. This makes Ca 2 N an interesting candidate to replace calcium as cathode material for polymer light emitting diode devices. [PACS: 73.30 +y]

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تاریخ انتشار 2004