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Origin of the high work function and high conductivity of MoO3


Type

Article

Change log

Authors

Guo, Y 
Robertson, J 

Abstract

jats:pThe large work function of MoO3 of 6.6 eV is due to its closed shall character and the dipole layer created by planes of terminal O1 oxygen sites which lower the electrostatic potential of the inner Mo-O units. These O1 sites arise from the high stoichiometry of MoO3. The O vacancy is most stable at the 2-fold O2 site. It is a shallow donor and has a small formation energy in the O poor limit so that MoO3 easily becomes a degenerate semiconductor.</jats:p>

Description

Keywords

Vacancies, Work functions, Molybdenum, Band gap, Electrostatics

Journal Title

Applied Physics Letters

Conference Name

Journal ISSN

0003-6951
1077-3118

Volume Title

105

Publisher

AIP Publishing
Sponsorship
The authors are grateful to EPSRC for funding.