有机半导体/掺杂异质结的界面结构和结晶顺序的设计依赖性：并五苯/ C <sub>60</sub> F <sub>48</sub>,The Journal of Physical Chemistry C

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有机半导体/掺杂异质结的界面结构和结晶顺序的设计依赖性：并五苯/ C ₆₀ F ₄₈
The Journal of Physical Chemistry C ( IF 3.3 ) Pub Date : 2021-02-23 , DOI: 10.1021/acs.jpcc.0c11439
Francesco Silvestri ₁ , Linus Pithan ₂ , Adara Babuji ₁ , Carmen Ocal ₁ , Esther Barrena ₁

Affiliation

平面异质结和混合异质结是分别用于有机电子学中的接触和体掺杂的常见架构。除了经验方法的成功之外，了解掺杂剂分子的掺入如何影响有机半导体膜的结构特性对于具有有效电特性的器件的设计优化至关重要。为此，我们利用平面外和掠入射X射线衍射（GIXD）来表征在并五苯作为有机半导体和C ₆₀ F ₄₈作为掺杂剂的天然SiO ₂衬底上制造的工程异质结。可以推断这两个物种之间有很强的相互作用，这极大地影响了不同结构中的晶体顺序。虽然C₆₀ F ₄₈晶域在SiO ₂表面上随机取向，并五苯的向后沉积被证明可诱导下面的C ₆₀ F ₄₈的取向顺序和重组。在逆结构中，SiO ₂上高度[001]取向的并五苯膜对C ₆₀ F ₄₈具有模板作用，从而导致形成面心立方[111]取向的膜并导致有序的平面异质结构。实时GIXD显示存在应变的C ₆₀ F ₄₈在界面处形成一层具有逐渐松弛的层，并随着覆盖率的增加过渡到3D晶体的形成。当通过共蒸发混合在主体中时，掺杂剂呈非晶态，并嵌入多晶并五苯基质中。此处报道的界面效应将对分子掺杂的效率产生相关影响，这使得可以预见通过接口工程改善设备性能的指导方针的建立。

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Design Dependence of the Interface Structure and Crystalline Order of Organic Semiconductor/Dopant Heterojunctions: Pentacene/C60F48

Planar and mixed heterojunctions are the common architectures respectively used for contact and bulk doping in organic electronics. Beyond the success of empirical methods, knowing how the incorporation of dopant molecules affects the structural properties of the organic semiconductor film is essential for the design optimization of devices with efficient electrical properties. With this aim, we exploit out-of-plane and grazing incidence X-ray diffraction (GIXD) to characterize engineered heterojunctions fabricated on native SiO₂ substrates with pentacene as an organic semiconductor and C₆₀F₄₈ as a dopant. A strong interaction between the two species is inferred, which dramatically influences the crystalline order in the different architectures. While C₆₀F₄₈ crystalline domains orient randomly on the SiO₂ surface, the ulterior deposition of pentacene is demonstrated to induce the orientational order and reorganization of the underlying C₆₀F₄₈. In the inverse architecture, the highly [001]-oriented pentacene film on SiO₂ has a template effect on C₆₀F₄₈, inducing the formation of a face-centered cubic [111]-oriented film and leading to an ordered planar heterostructure. Real-time GIXD reveals the presence of a strained C₆₀F₄₈ layer at the interface with a gradual relaxation and transition to 3D crystallite formation with increasing coverage. When mixed in the bulk by co-evaporation, the dopant adopts an amorphous state, embedded in a polycrystalline pentacene matrix. The interfacial effects reported here would have relevant repercussion on the efficiency of molecular doping, which makes it possible to foresee the establishment of guidelines for device performance improvement through interface engineering.

更新日期：2021-03-11

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