期刊
ADVANCED FUNCTIONAL MATERIALS
卷 23, 期 48, 页码 6091-6099出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/adfm.201301466
关键词
molybdenum oxide; metal-oxide; organic interface; optoelectronics; gap states; oxygen vacancy
类别
资金
- Center for Interface Science: Solar Electric Materials (CISSEM)
- Energy Frontier Research Center
- U.S. Department of Energy, Office of Science, Basic Energy Sciences [DE-SC0001084]
- NSF CRIF [CHE-0946869]
- Georgia Institute of Technology
A combination of density functional theory and experimental measurements via ultraviolet and X-ray photoelectron spectroscopies is used to explore the nature of the interface between the stoichiometric molybdenum trioxide (MoO3) or its under-stoichiometric counterpart with oxygen vacancies, and an organic hole-transport layer represented by 4,4-N,N-dicarbazole-biphenyl (CBP). Upon adsorption of CBP, special attention is paid to i) the appearance of gap states and the reduction of the molybdenum oxide surface, and ii) the evolution of the work function. Very good agreement is found between theory and experiment. The near alignment of the CBP highest occupied molecular orbital with the Fermi level and the conduction band edge of molybdenum oxide points to facile hole collection or injection.
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