Charge Transfer in Molecular Materials

Charge Transfer in Molecular Materials
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DOI:
10.1007/978-3-319-42913-7_7-1
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发表时间:
2020
期刊:
Handbook of Materials Modeling
影响因子:
--
通讯作者:
Tianyu Zhu;T. Voorhis;P. Silva
Tianyu Zhu;T. Voorhis;P. Silva
中科院分区:
其他
文献类型:
--
作者:
Tianyu Zhu;T. Voorhis;P. Silva

文献摘要

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材料中的电荷传输对各种设备都有影响-LED、PV、电池、燃料电池、电路和传感器都突出地利用了底层材料的电荷传输特性。随着材料设计变得越来越复杂,分子组分在这些应用中发挥着更大的作用,因此对分子系统中电荷迁移的理解越来越重要。在这里,我们提出了一个简洁的评论的原则,在分子材料中的电荷转移。在对马库斯理论的关键概念进行简要总结后,我们讨论了影响电荷转移的关键分子和材料性质以及如何解释它们。使用有机PV和LED材料作为案例研究,我们说明了这些概念如何可以用来更好地理解的微观特性,在真实的设备中的设备功能的基础。
Charge transport in materials has an impact on a wide range of devices – LEDs, PVs, batteries, fuel cells, circuits, and sensors all prominently exploit charge transfer characteristics of the underlying materials. As material design becomes more sophisticated, molecular components are playing a larger role in these applications, so that an understanding of charge migration in molecular systems is increasingly relevant. Here, we present a concise review of the principles of charge transfer in molecular materials. After a brief summary of the key concepts of Marcus theory, we discuss the key molecular and material properties that influence charge transfer and how they can be accounted for. Using organic PV and LED materials as a case study, we illustrate how these concepts can be used to better understand the microscopic properties that underpin device function in real devices.