In this paper, the electronic properties of a carbon allotrope, graphene with a kagome lattice structure, are investigated. Spin-polarized density functional theory (DFT) calculations with Grimme dispersion corrections were done. Bond lengths, electronic band structure, and projected density of states were calculated. Electronic band structure calculations show kagome flat-band formation with higher d-orbital contributed bonding behavior than the pristine graphene structure. The structural parameters and electronic band results of this 2D carbon allotrope show wider possible usage in many applications from desalination membranes to possible high-temperature superconductors.

本文研究了碳同素异形体，具有kagome晶格结构的石墨烯的电子性能。进行了具有Grimme色散校正的自旋极化密度泛函理论（DFT）计算。计算键长，电子能带结构和预计的状态密度。电子能带结构计算表明，与原始石墨烯结构相比，具有较高d轨道贡献键合行为的kagome平坦带形成。这种2D碳同素异形体的结构参数和电子谱带结果显示了从脱盐膜到可能的高温超导体在许多应用中的广泛应用。