The Li-adsorbed C(100)-(1x1): O diamond surface

Kane M. O'Donnell*, Tomas L. Martin, Neil A. Fox, David Cherns

*Corresponding author for this work

Research output: Chapter in Book/Report/Conference proceedingConference Contribution (Conference Proceeding)

8 Citations (Scopus)


This paper presents density functional theory results for the Li-adsorbed C(100)-(1x1):O system. Previously it has been shown that at a single monolayer coverage, the binding energy for Li on oxygenated C(100) diamond is substantially higher than that of heavier alkali metals, while at the same time, the presence of the lithium generates a large shift in the diamond workfunction. The system is therefore promising for electronics applications involving diamond. Here, further calculations are presented showing that additional Li atoms above 1ML coverage are far less strongly bound, suggesting the 1ML surface is the most useful for vacuum microelectronic applications.

Original languageEnglish
Title of host publicationDiamond Electronics and Bioelectronics - Fundamentals to Applications IV
Number of pages6
Publication statusPublished - 2011
Event2010 MRS Fall Meeting - Boston, MA, United States
Duration: 29 Nov 20103 Dec 2010


Conference2010 MRS Fall Meeting
Country/TerritoryUnited States
CityBoston, MA


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