Organic semiconductors are solution-processable, lightweight and flexible and are increasingly being used as the active layer in a wide range of new technologies. The versatility of synthetic organic chemistry enables the materials to be tuned such that they can be incorporated into biological sensors, wearable electronics, photovoltaics and flexible displays. These devices can be improved by improving their material components, not only by developing the synthetic chemistry but also by improving the analytical and computational techniques that enable us to understand the factors that govern material properties. Judicious molecular design provides control of the semiconductor frontier molecular orbital energy distribution and guides the hierarchical assembly of organic semiconductors into functional films where we can manipulate the properties and motion of charges and excited states. This Review describes how molecular design plays an integral role in developing organic semiconductors for electronic devices in present and emerging technologies.

有机半导体具有可溶液加工、轻质且灵活的特点，越来越多地被用作各种新技术的活性层。合成有机化学的多功能性使材料能够被调整，以便将它们纳入生物传感器、可穿戴电子产品、光伏和柔性显示器中。这些设备可以通过改进其材料成分来改进，不仅可以通过开发合成化学，还可以通过改进分析和计算技术，使我们能够了解控制材料特性的因素。明智的分子设计可以控制半导体前沿分子轨道能量分布，并引导有机半导体分层组装成功能薄膜，在功能薄膜中我们可以操纵电荷和激发态的性质和运动。本综述描述了分子设计如何在现有和新兴技术的电子设备有机半导体开发中发挥不可或缺的作用。