Structure file of Er-doped TIO2
收藏官方服务：
资源简介：
The electronic states and charge transfer directions of Er-TIO2 have been calculated using a density-functional theory (DFT) approach using the VASP software package. We adopt the Perdew-Burke-Ernzerhof (PBE) generalized function (DFT method) to describe the electron exchange correlation energy.
提供机构：
Shehoude创建时间：
2024-06-17
