First principle study of the conductive type stability in Sn, Li and Li-Ni doped ZnO nanosheet
© 2017 Elsevier Ltd and Techna Group S.r.l. In this study, the Sn, Li and Li-Ni doped ZnO nanosheet were studies using density functional theory implemented in Quantum espresso package. The electrical and optical properties of these doping effects on ZnO nanosheet were studied using Heyd-Scuseria-Er...
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th-cmuir.6653943832-402022017-09-28T04:08:17Z First principle study of the conductive type stability in Sn, Li and Li-Ni doped ZnO nanosheet Supatutkul C. Pramchu S. Jareonjittichai A. Laosiritaworn Y. © 2017 Elsevier Ltd and Techna Group S.r.l. In this study, the Sn, Li and Li-Ni doped ZnO nanosheet were studies using density functional theory implemented in Quantum espresso package. The electrical and optical properties of these doping effects on ZnO nanosheet were studied using Heyd-Scuseria-Ernzerhof (HSE) hybrid functional. The dopant ions were substituted on Zn sites in hexagonal ZnO nanosheets. The results showed that, for the n-type doping, the Sn-doped ZnO nanosheet is the most stable under O-poor condition compared with the Li doping and Li-Ni co-doping and has donor level at 2.29 eV below conduction band minimum (CBM). On the other hand, for the p-type doping, Li-doped ZnO nanosheet has acceptor level at 0.68 eV above valence band maximum (VBM) and is more energetic favorable than the Li-Ni doped ZnO in O-poor condition. Therefore, this density functional investigation shows that the high stability of ZnO nanosheets can be achieved for both p-type and n-type conductivity depending on the designed growth condition. These results then suggest the possibility to produce both conductive types in ZnO nanosheet for implementation as p-n junction in miniaturized electronics devices. 2017-09-28T04:08:17Z 2017-09-28T04:08:17Z Journal 02728842 2-s2.0-85019741560 10.1016/j.ceramint.2017.05.276 https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85019741560&origin=inward http://cmuir.cmu.ac.th/jspui/handle/6653943832/40202 |
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© 2017 Elsevier Ltd and Techna Group S.r.l. In this study, the Sn, Li and Li-Ni doped ZnO nanosheet were studies using density functional theory implemented in Quantum espresso package. The electrical and optical properties of these doping effects on ZnO nanosheet were studied using Heyd-Scuseria-Ernzerhof (HSE) hybrid functional. The dopant ions were substituted on Zn sites in hexagonal ZnO nanosheets. The results showed that, for the n-type doping, the Sn-doped ZnO nanosheet is the most stable under O-poor condition compared with the Li doping and Li-Ni co-doping and has donor level at 2.29 eV below conduction band minimum (CBM). On the other hand, for the p-type doping, Li-doped ZnO nanosheet has acceptor level at 0.68 eV above valence band maximum (VBM) and is more energetic favorable than the Li-Ni doped ZnO in O-poor condition. Therefore, this density functional investigation shows that the high stability of ZnO nanosheets can be achieved for both p-type and n-type conductivity depending on the designed growth condition. These results then suggest the possibility to produce both conductive types in ZnO nanosheet for implementation as p-n junction in miniaturized electronics devices. |
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Supatutkul C. Pramchu S. Jareonjittichai A. Laosiritaworn Y. |
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Supatutkul C. Pramchu S. Jareonjittichai A. Laosiritaworn Y. First principle study of the conductive type stability in Sn, Li and Li-Ni doped ZnO nanosheet |
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Supatutkul C. Pramchu S. Jareonjittichai A. Laosiritaworn Y. |
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Supatutkul C. |
title |
First principle study of the conductive type stability in Sn, Li and Li-Ni doped ZnO nanosheet |
title_short |
First principle study of the conductive type stability in Sn, Li and Li-Ni doped ZnO nanosheet |
title_full |
First principle study of the conductive type stability in Sn, Li and Li-Ni doped ZnO nanosheet |
title_fullStr |
First principle study of the conductive type stability in Sn, Li and Li-Ni doped ZnO nanosheet |
title_full_unstemmed |
First principle study of the conductive type stability in Sn, Li and Li-Ni doped ZnO nanosheet |
title_sort |
first principle study of the conductive type stability in sn, li and li-ni doped zno nanosheet |
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2017 |
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https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85019741560&origin=inward http://cmuir.cmu.ac.th/jspui/handle/6653943832/40202 |
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