Electronic Structure and Charge Transition Levels in Oxygen deficient monoclinic Zirconia
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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.
创建时间：
2025-09-13
