Controlled Crystal Growth of Indium Selenide, In2Se3, and the Crystal Structures of α-In2Se3,Inorganic Chemistry

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Controlled Crystal Growth of Indium Selenide, In2Se3, and the Crystal Structures of α-In2Se3
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2018-08-28 00:00:00 , DOI: 10.1021/acs.inorgchem.8b01950
Michael Küpers , Philipp M. Konze , Alexander Meledin ₁ , Joachim Mayer ₁ , Ulli Englert , Matthias Wuttig _{2,

3,

4} , Richard Dronskowski ₄

Affiliation

In₂Se₃ 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 In₂Se₃. 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-In₂Se₃ and compare them to those in the metastable β-phase.

中文翻译：

控制晶体生长硒化铟的，在₂硒₃ α-在，并且所述晶体结构₂硒₃

In ₂ Se ₃已经有100多年的历史了，近来作为各种应用的有前途的候选者引起了人们的兴趣，例如太阳能电池，光电二极管和相变存储器。尽管广泛关注其可能的用途，但其多态性和结构的表征却很差。通过结合X射线衍射，透射电子显微镜和量子化学计算，我们在这里介绍了两种分层的室温多型体的晶体结构：3R和2H In ₂ Se ₃。两种多晶型物都是同一Se-In-Se-In-Se层的堆叠变体，包括两个In原子配位环境，一个四面体和一个八面体。通过化学键合分析，我们可以看到α-In中不同的In位置₂ Se ₃，并将其与亚稳态β相的Se ₂进行比较。

更新日期：2018-08-28

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