Nature of the Interfaces Between Stoichiometric and Under-Stoichiometric MoO3 and 4,4 ''-N,N '-dicarbazole-biphenyl: A Combined Theoretical and Experimental Study

作者：Papadopoulos Theodoros A^*; Meyer Jens; Li Hong; Guan Zelei; Kahn Antoine; Bredas Jean Luc

来源：Advanced Functional Materials, 2013, 23(48): 6091-6099.

DOI：10.1002/adfm.201301466

• molybdenum oxide
• metal-oxide
• organic interface
• optoelectronics
• gap states
• oxygen vacancy

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.

• 出版日期2013-12-23