Here we propose new structures which can be represented as metallocene molecules organized into a 2D hybrid structure with two carbon layers and metal atoms sandwiched between them. We called them 2D metallocene-like structures or metal-intercalated bilayer graphene allotropes inspired by MCp₂ structure. The Co and Fe metal atoms as filler between the carbon layers were considered. In addition to intriguing geometry, proposed structures show dynamical stability, which was studied by state-of-the-art computational techniques. The nature of metal-carbon bonding was determined and analyzed. Half-metallic properties were observed in the case of cobalt-containing structures. Localization of magnetic moments on individual cobalt atoms opens broad prospects for application in spintronics devices due to the shielding of a magnetic metal atom by the carbon network.

在这里，我们提出了新的结构，可以将其表示为由两个碳层和夹在它们之间的金属原子组成的 2D 混合结构的茂金属分子。我们称它们为 2D 类茂金属结构或受 MCp ₂启发的金属插层双层石墨烯同素异形体结构体。考虑了 Co 和 Fe 金属原子作为碳层之间的填料。除了有趣的几何形状外，所提出的结构还显示出动态稳定性，这是通过最先进的计算技术进行研究的。确定并分析了金属-碳键合的性质。在含钴结构的情况下观察到半金属特性。由于碳网络对磁性金属原子的屏蔽，单个钴原子上的磁矩定位为自旋电子器件中的应用开辟了广阔的前景。