Electronic Structure and Charge Transition Levels in Oxygen deficient monoclinic Zirconia
收藏Figshare2025-09-14 更新2026-04-08 收录
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https://figshare.com/articles/dataset/Electronic_Structure_and_Charge_Transition_Level_of_monoclinic_Zirconia_DFT_GW/30119158/2
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资源简介：
This is a supportive data for the calculation of charge transition levels (CTLs) in oxygen deficient monoclinic Zirconia (m-Zirconia). We have used DFT+GW formalism which is a robust and modern way to calculate charge transition levels in a system. Our results agrees very well with experimentally observed values.
提供机构：
Jain, Manish; Gogoi, Sanat Kumar
创建时间：
2025-09-14
