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- W2757758469 abstract "Co3O4 is one of the most widely used materials in energy and environmental field due to its unintentional p-type nature, which depends on the preparation conditions. In this study, we investigated the origin of the unintentional p-type conductivity of Co3O4 by calculating all possible intrinsic point defects. We found that the octahedral cobalt vacancy and tetrahedral cobalt vacancy are the sources of unintentional p-type doping. Using charge balance theory, we analyzed the effect of preparation condition on intrinsic defect-induced doping. In most of preparation condition, the formation of these cobalt vacancies plays a dominant role and the spontaneous formation of p-type doping is unavoidable. However, if there is ample oxygen and the temperature is low during the preparation, the unintentional p-type doping can be avoided. This theoretical work on defects provides a crucial clue to optimize Co3O4 for various electrochemical applications." @default.
- W2757758469 created "2017-10-06" @default.
- W2757758469 creator A5022421707 @default.
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- W2757758469 date "2018-02-01" @default.
- W2757758469 modified "2023-09-29" @default.
- W2757758469 title "Elucidating the unintentional p-type nature of spinel Co3O4: A defect study using ab-initio calculation" @default.
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- W2757758469 doi "https://doi.org/10.1016/j.jeurceramsoc.2017.09.039" @default.
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