Using in situ ultraviolet photoelectron spectroscopy, the electronic structure evolutions at the interface between pentacene and fullerene (C₆₀), a classical organic donor-acceptor heterostructure in organic electronic devices, on indium-tin oxide (ITO) and MoO₃ modified ITO substrates have been investigated. The insertion of a thin layer MoO₃ has a significant impact on the interfacialenergy level alignment of pentacene-C₆₀heterostructure. For the deposition of C₆₀ on pentacene, the energy difference between the highest occupied molecular orbital of donor and the lowest unoccupied molecular orbital of acceptor (HOMO_D-LUMO_A) offset of C₆₀/pentacene heterostructure increased from 0.86 eV to 1.54 eV after the insertion of a thin layer MoO₃ on ITO. In the inverted heterostructrure where pentacene was deposited on C₆₀, the HOMO_D-LUMO_A offset of pentacene/C₆₀heterostructure increased from 1.32 to 2.20 eV after MoO₃ modification on ITO. The significant difference of HOMO_D-LUMO_A offset shows the feasibility to optimize organic electronic device performance through interfacial engineering approaches, such as the insertion of a thin layer high work function MoO₃ films.

中文翻译：

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MoO3中间层对并五苯-C60杂结构能级排列的影响

使用原位紫外光电子能谱，在并五苯和富勒烯（C ₆₀）之间的界面上的电子结构演变（有机电子器件中的经典有机供体-受体异质结构）在氧化铟锡（ITO）和MoO ₃改性的ITO衬底上被调查了。薄层MoO ₃的插入对并五苯-C ₆₀异质结构的界面能级排列有重要影响。对于并五苯上的C ₆₀沉积，施主的最高占据分子轨道与受体的最低未占据分子轨道之间的能量差（HOMO _D -LUMO _A）在ITO上插入薄层MoO ₃之后，C ₆₀ /并五苯异质结构的偏移从0.86 eV增加到1.54 eV 。在将并五苯沉积在C ₆₀上的反向异质结构中，在ITO上进行MoO ₃修饰后，并五苯/ C ₆₀异质结构的HOMO _D -LUMO _A偏移从1.32 eV增加到2.20 eV 。HOMO _D -LUMO _A偏移的显着差异表明，可以通过界面工程方法（例如插入薄层高功函MoO ₃膜）来优化有机电子器件性能的可行性。