Emergent Properties of an Organic Semiconductor Driven by its Molecular Chirality.
Emergent Properties of an Organic Semiconductor Driven by its Molecular Chirality.
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DOI：
10.1021/acsnano.7b03540
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发表时间：
2017-07
期刊：
影响因子：
17.1
通讯作者：
Ying Yang;Beth Rice;Xingyuan Shi;Jochen R. Brandt;Rosenildo Correa da Costa;G. Hedley;Detlef-Matthias Smilgies;J. Frost;I. Samuel;A. Otero-de-la-Roza;E. Johnson;K. Jelfs;J. Nelson;A. Campbell;M. Fuchter
中科院分区：
文献类型：
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作者：
Ying Yang;Beth Rice;Xingyuan Shi;Jochen R. Brandt;Rosenildo Correa da Costa;G. Hedley;Detlef-Matthias Smilgies;J. Frost;I. Samuel;A. Otero-de-la-Roza;E. Johnson;K. Jelfs;J. Nelson;A. Campbell;M. Fuchter
手性分子以不可叠加的镜像的形式存在；这是一种基本的对称性，在有机电子设备中被极大地忽视了。在这里，我们展示了由螺旋手性分子1-氮杂[6]螺烯制成的有机场效应晶体管(OFET)在空穴迁移率方面可以表现出高达80倍的差异，以及薄膜光物理和形态上的差异，这仅仅取决于在类似的制造条件下使用的是单手分子还是1：1的左右手分子混合物。由于两种镜像异构体的分子性质相同，这些变化必然是由手性组成引起的不同堆积的结果。这种潜在的结构是用晶体结构预测来研究的，这是一种很少应用于分子材料的计算方法，并与电荷传输的差异有关。这些结果表明，手性有可能在未来的器件应用中作为一个关键的调谐参数。
Chiral molecules exist as pairs of nonsuperimposable mirror images; a fundamental symmetry property vastly underexplored in organic electronic devices. Here, we show that organic field-effect transistors (OFETs) made from the helically chiral molecule 1-aza[6]helicene can display up to an 80-fold difference in hole mobility, together with differences in thin-film photophysics and morphology, solely depending on whether a single handedness or a 1:1 mixture of left- and right-handed molecules is employed under analogous fabrication conditions. As the molecular properties of either mirror image isomer are identical, these changes must be a result of the different bulk packing induced by chiral composition. Such underlying structures are investigated using crystal structure prediction, a computational methodology rarely applied to molecular materials, and linked to the difference in charge transport. These results illustrate that chirality may be used as a key tuning parameter in future device applications.