Using ab initio molecular dynamics, we show that a recently discovered form of 2D Ga—gallenene—exhibits highly variable thickness dependent properties. Here, 2D Ga of four, five and six atomic layers thick are found to be thermally stable to 457 K, 350 K and 433 K, respectively; all well above that of bulk Ga. Analysis of the liquid structure of 2D Ga shows a thickness dependent ordering both parallel and perpendicular to the Ga/vacuum interface. Furthermore, ground state optimisations of 2D Ga to 12 atomic layers thick shows a return to a bulk-like bonding structure at 10 atoms thick, therefore we anticipate that up to this thickness 2D Ga structures will each exhibit novel properties as discrete 2D materials. Gallenene has exciting potential applications in plasmonics, sensors and electrical contacts however, for the potential of 2D Ga to be fully realised an in depth understanding of its thickness dependent properties is required.

中文翻译：

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通过改变原子厚度来调节没食子烯的热稳定性和结构稳定性

从头开始使用分子动力学，我们表明最近发现的二维 Ga 形式 - 加仑烯 - 表现出高度可变的厚度依赖性特性。在这里，发现 4、5 和 6 个原子层厚的 2D Ga 分别在 457 K、350 K 和 433 K 时是热稳定的；都远高于块状 Ga。对 2D Ga 的液体结构的分析显示出与 Ga/真空界面平行和垂直的厚度相关排序。此外，2D Ga 到 12 个原子层厚的基态优化显示返回到 10 个原子厚的块状键合结构，因此我们预计，在此厚度之前，2D Ga 结构将各自表现出作为离散 2D 材料的新特性。Gallenene 在等离子激元、传感器和电接触方面具有令人兴奋的潜在应用，