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• W1993673984 abstract "Whereas nitrogen is regarded as the best candidate to induce p-type doping in ZnO, the practical results are mainly negative either for monodoping or codoping. We perform first-principles calculations to investigate the p-type nature of boron and nitrogen codoped ZnO. The p-type character can be obtained with the proper BN3 substitutional clusters. We propose a mechanism that explains the difficulties to synthesize p-type ZnO samples: the formation of N2 molecules substituting oxygen, which are donors, energetically prevails over any codoping cluster. This mechanism is very general and explains the experimental instability of N-based doping and codoping versus time and temperature." @default.
• W1993673984 created "2016-06-24" @default.
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• W1993673984 date "2010-07-26" @default.
• W1993673984 modified "2023-09-26" @default.
• W1993673984 title "p-type doping and codoping of ZnO based on nitrogen is ineffective: An <i>ab initio</i> clue" @default.
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• W1993673984 doi "https://doi.org/10.1063/1.3473762" @default.
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