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The Li-adsorbed C(100)-(1x1):O Diamond Surface

Published online by Cambridge University Press:  02 March 2011

Kane M. O’Donnell ,
Tomas L. Martin ,
Neil A. Fox  and
David Cherns
Kane M. O’Donnell
Affiliation:
The Bristol Centre for Nanoscience and Quantum Information, University of Bristol, Bristol, BS8 1FD, United Kingdom. School of Chemistry, University of Bristol, Cantock’s Close, Bristol, BS8 1FD
Tomas L. Martin
Affiliation:
School of Chemistry, University of Bristol, Cantock’s Close, Bristol, BS8 1FD H.H. Wills Physics Laboratory, University of Bristol, Bristol, BS8 1FD, United Kingdom.
Neil A. Fox
Affiliation:
H.H. Wills Physics Laboratory, University of Bristol, Bristol, BS8 1FD, United Kingdom.
David Cherns
Affiliation:
H.H. Wills Physics Laboratory, University of Bristol, Bristol, BS8 1FD, United Kingdom.
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Abstract

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.

Keywords

diamondsurface chemistryelectronic structure
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1282: Symposium A – Diamond Electronics and Bioelectronics—Fundamentals to Applications IV , 2011 , mrsf10-1282-a05-04
Copyright
Copyright © Materials Research Society 2011

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