Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons (ER-C) , Forschungszentrum Jülich GmbH , 52428 Jülich , Germany.
I. Institute of Physics, Physics of Novel Materials , RWTH Aachen University , 52056 Aachen , Germany.
Inorg Chem. 2018 Sep 17;57(18):11775-11781. doi: 10.1021/acs.inorgchem.8b01950. Epub 2018 Aug 28.
InSe has been known for over 100 years and recently attracted interest as a promising candidate for a variety of applications, such as solar cells, photodiodes, and phase-change memories. Despite the broad concern for possible uses, its polymorphism and structure are poorly characterized. By combining X-ray diffraction, transmission electron microscopy, and quantum-chemical calculations, we present here the crystal structures of two layered room-temperature polytypes: 3R and 2H InSe. Both polymorphs are stacking variants of the same Se-In-Se-In-Se layers comprising two coordination environments for the In atoms, one tetrahedral and one octahedral. By using chemical-bonding analysis, we look at the different In positions in α-InSe and compare them to those in the metastable β-phase.
InSe 被人们认识已经超过 100 年了，最近作为各种应用的有前途的候选材料引起了人们的兴趣，例如太阳能电池、光电二极管和相变存储器。尽管人们广泛关注可能的用途，但它的多晶型性和结构还没有得到很好的描述。通过结合 X 射线衍射、透射电子显微镜和量子化学计算，我们在这里展示了两种层状室温多型体：3R 和 2H InSe。这两种多晶型体都是相同的 Se-In-Se-In-Se 层的堆叠变体，包含两种配位环境的 In 原子，一种是四面体的，另一种是八面体的。通过使用化学键分析，我们研究了 α-InSe 中不同的 In 位置，并将它们与亚稳的 β 相中的位置进行了比较。
