The emergence of specific and outstanding 2D-structure-related material performance has motivated a search for 2D atomic structures that can even be described as non-van-der-Waals-type materials. This has been exemplified with materials from group IV and group III–V which naturally crystallize in diamond, zincblende or wurtzite crystal structures. Here, we give insight into various atomic structures of indium oxide at the 2D limit featuring different stoichiometry, including 2D InO and 2D In₂O₃. We find that 2D InO with an InSe-type structure and its characteristic In–In distances compare closely with available first-time experimental results. An as yet unexplored 2D structure of indium oxide is found to be a planar hexagonal monolayer of h-In₂O₃.

中文翻译：

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探索不同化学计量的氧化铟的二维结构

特定且出色的 2D 结构相关材料性能的出现激发了对 2D 原子结构的探索，这种结构甚至可以被描述为非范德瓦尔斯型材料。这已经以第 IV 族和第 III-V 族的材料为例，它们在金刚石、闪锌矿或纤锌矿晶体结构中自然结晶。在这里，我们深入了解了具有不同化学计量比的 2D 极限氧化铟的各种原子结构，包括 2D InO 和 2D In ₂ O ₃。我们发现具有 InSe 型结构的 2D InO 及其特征 In-In 距离与可用的首次实验结果非常接近。发现尚未探索的氧化铟二维结构是 h-In ₂ O ₃的平面六边形单层.