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Property database for single-element doping in ZnO obtained by automated first-principles calculations

Throughout the past decades, doped-ZnO has been widely used in various optical, electrical, magnetic, and energy devices. While almost every element in the Periodic Table was doped in ZnO, the systematic computational study is still limited to a small number of dopants, which may hinder a firm under...

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Publicado en:Sci Rep
Autores principales: Yim, Kanghoon, Lee, Joohee, Lee, Dongheon, Lee, Miso, Cho, Eunae, Lee, Hyo Sug, Nahm, Ho-Hyun, Han, Seungwu
Formato: Artigo
Lenguaje:Inglês
Publicado: Nature Publishing Group 2017
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Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC5256097/
https://ncbi.nlm.nih.gov/pubmed/28112188
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep40907
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