Ab initio study of negative electron affinity from light metals on the oxygen-terminated diamond (1 1 1) surface

Paul May, Neil Allan, Michael James

Research output: Contribution to journalArticle (Academic Journal)

1 Citation (Scopus)
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Abstract

Recent computational work has shown that light metals adsorbed onto the oxygenated diamond (100) surface have the potential to give diamond a temperature-stable negative electron affinity (NEA). Here, we use density functional theory to study three of these metals, lithium, magnesium and aluminium, on the (111) surface. We show that all three of these metals adsorbed onto the ketone O-terminated diamond surface can possess a large NEA and adsorption energies above that of H-termination at monolayer (ML) or sub-ML coverages. Adsorption onto the ether O-terminated surface gives similarly large NEAs but lower adsorption energies. These results are promising for the development of novel NEA surfaces such as those required for thermionic devices.
Original languageEnglish
Number of pages1
JournalJournal of Physics Condensed Matter
Volume31
Issue number29
Early online date7 May 2019
DOIs
Publication statusPublished - 24 Jul 2019

Keywords

  • Diamond
  • negative electron affinity

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