Origin of the high work function and high conductivity of MoO3

被引:108
作者
Guo, Yuzheng [1 ]
Robertson, John [1 ]
机构
[1] Univ Cambridge, Dept Engn, Cambridge CB2 1PZ, England
基金
英国工程与自然科学研究理事会;
关键词
TRANSITION-METAL OXIDES; ALPHA-MOO3; GRAPHENE; SURFACE; ELECTRODES; MOO3(010); ALIGNMENT;
D O I
10.1063/1.4903538
中图分类号
O59 [应用物理学];
学科分类号
摘要
The 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 O-1 oxygen sites which lower the electrostatic potential of the inner Mo-O units. These O-1 sites arise from the high stoichiometry of MoO3. The O vacancy is most stable at the 2-fold O-2 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. (C) 2014 AIP Publishing LLC.
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页数:4
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