Structure file of Er-doped TIO2
收藏DataCite Commons2025-04-27 更新2025-04-16 收录
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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.
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Science Data Bank
创建时间：
2024-06-18
