Efficiency Enhancement of GaN/InN-Based Solar Cells through Doping with Si, Zn, Ag Elements: A Physico-Chemical Study of Nanosurface by First-Principles Calculation
摘要
As applied materials for storage energy in solar cells, hetero clusters of GaN, InN, GaInN, GaInSiN, GaInZnN, GaInAgN can attract considerable attention in materials science. A comprehensive investigation on energy grabbing by GaN, InN, GaInN, GaInSiN, GaInZnN, GaInAgN was carried out including using DFT computations at the CAM-B3LYP-D3/6-311+G(d,p) level of theory. Electromagnetic and thermodynamic properties of GaN, InN, GaInN, GaInSiN, GaInZnN, GaInAgN hetero clusters have been evaluated. The hypothesis of the energy adsorption phenomenon was confirmed by density distributions of CDD, PDOS, and ESP for GaN, InN, GaInN, GaInSiN, GaInZnN, GaInAgN hetero clusters. The two hetero clusters of GaInZnN and GaInAgN with the fluctuations of In, Ga, N and transition metals of Zn, Ag have indicated the same sensitivity graph of electric potential via charge distribution with