First-Principles Density Functional Theory Study of Modified Germanene-Based Electrode Materials

Germanene, with a wrinkled atomic layer structure and high specific surface area, showed high potential as an electrode material for supercapacitors. According to the first-principles calculation based on Density Functional Theory, the quantum capacitance of germanene could be significantly improved by introducing doping/co-doping, vacancy defects and multilayered structures. The quantum capacitance obtained enhancement as a result of the generation of localized states near the Dirac point and/or the movement of the Fermi level induced by doping and/or defects. In addition, it was found that the quantum capacitance enhanced monotonically with the increase of the defect concentration.

Automated summary

Germanene, with its wrinkled atomic layer structure and high specific surface area, has shown great potential as an electrode material for supercapacitors. By introducing doping/co-doping, vacancy defects, and multilayered structures, the quantum capacitance of germanene can be significantly improved. The enhancement of quantum capacitance is achieved through the generation of localized states near the Dirac point and/or the movement of the Fermi level induced by doping and/or defects. Furthermore, it has been observed that the quantum capacitance increases monotonically with the increase in defect concentration.