Oligothiophene‐Based Phosphonates for Surface Modification of Ultraflat Transparent Conductive Oxides,Advanced Materials Interfaces

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Oligothiophene‐Based Phosphonates for Surface Modification of Ultraflat Transparent Conductive Oxides
Advanced Materials Interfaces ( IF 4.3 ) Pub Date : 2020-05-04 , DOI: 10.1002/admi.201902114
Melanie Timpel _{1,

2} , Marco V. Nardi _{1,

2} , Berthold Wegner ₁ , Giovanni Ligorio ₁ , Luca Pasquali _{3,

4,

5} , Jana Hildebrandt ₆ , Michael Pätzel ₆ , Stefan Hecht _{6,

7,

8} , Hiromichi Ohta ₉ , Norbert Koch _{1,

10,

11}

Affiliation

Institut für Physik & IRIS AdlershofHumboldt‐Universität zu Berlin Brook‐Taylor‐Str. 6 Berlin 12489 Germany
Istituto dei Materiali per l'Elettronica ed il MagnetismoIMEM‐CNRSezione di Trento Via alla Cascata 56/C (Povo) Trento 38123 Italy
IOM‐CNR InstituteArea Science Park SS 14 Km, 163.5, Basovizza Trieste 34149 Italy
Engineering Department“E. Ferrari”University of Modena e Reggio Emilia Via Vivarelli 10 Modena 41125 Italy
Department of PhysicsUniversity of Johannesburg PO Box 524 Auckland Park 2006 South Africa
Institut für ChemieHumboldt‐Universität zu Berlin Brook‐Taylor‐Str. 2 Berlin 12489 Germany
DWI – Leibniz Institut für Interaktive Materialien e.V.RWTH Aachen University Forckenbeckstraße 50 Aachen 52056 Germany
Institut für Technische und Makromolekulare ChemieRWTH Aachen University Worringerweg 2 Aachen 52074 Germany
Research Institute for Electronic ScienceHokkaido University N20W10 Sapporo 001‐0020 Japan
Helmholtz‐Zentrum Berlin für Materialien und Energie GmbH Albert‐Einstein‐Str. 16 Berlin 12489 Germany
Jiangsu Key Laboratory for Carbon Based Functional Materials and Devices and Institute of Functional Nano and Soft Materials (FUNSOM)Soochow University 199 Ren‐Ai Road Suzhou 215123 China

The self‐assembly of electroactive organic molecules on transparent conductive oxides is a versatile strategy to engineer the interfacial energy‐level alignment and to enhance charge carrier injection in optoelectronic devices. Via chemical grafting of an aromatic oligothiophene molecule by changing the position of the phosphonic acid anchoring group with respect to the organic moiety (terminal and internal), the direction of the main molecular dipole is changed, i.e., from parallel to perpendicular to the substrate, to study the molecular arrangement and electronic properties at the organic–inorganic interface. It is found that the observed work function increase cannot solely be predicted based on the calculated molecular dipole moment of the oligothiophene‐based phosphonates. In addition, charge transfer from the substrate to the molecule has to be taken into account. Molecular assembly and induced electronic changes are analogous for both indium‐tin oxide (ITO) and zinc oxide (ZnO), demonstrating the generality of the approach and highlighting the direct correlation between molecular coverage and electronic effects.

中文翻译：

寡聚噻吩基的膦酸酯，用于超平透明导电氧化物的表面改性

在透明导电氧化物上自组装电活性有机分子是一种通用的策略，可设计界面能级对齐并增强光电器件中的载流子注入。通过改变膦酸固定基团相对于有机部分（末端和内部）的位置，通过化学接枝芳香族低聚噻吩分子，改变主分子偶极子的方向，即从平行到垂直于底物，研究有机-无机界面的分子排列和电子性质。结果发现，观察到的功函数增加不能仅基于基于寡聚噻吩的膦酸酯的分子偶极矩的计算来预测。此外，必须考虑从底物到分子的电荷转移。铟锡氧化物（ITO）和氧化锌（ZnO）的分子组装和诱导的电子变化相似，证明了该方法的通用性，并强调了分子覆盖率和电子效应之间的直接相关性。

更新日期：2020-05-04

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