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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Main Authors: Chumpol Supatutkul, Sittichain Pramchu, Atchara Punya Jareonjittichai, Yongyut Laosiritaworn
Format: Journal
Published: 2018
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http://cmuir.cmu.ac.th/jspui/handle/6653943832/46523
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Institution: Chiang Mai University
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spelling th-cmuir.6653943832-465232018-04-25T07:21:44Z First principle study of the conductive type stability in Sn, Li and Li-Ni doped ZnO nanosheet Chumpol Supatutkul Sittichain Pramchu Atchara Punya Jareonjittichai Yongyut Laosiritaworn Materials Science Agricultural and Biological Sciences © 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. 2018-04-25T06:56:09Z 2018-04-25T06:56:09Z 2017-08-01 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/6653943832/46523
institution Chiang Mai University
building Chiang Mai University Library
country Thailand
collection CMU Intellectual Repository
topic Materials Science
Agricultural and Biological Sciences
spellingShingle Materials Science
Agricultural and Biological Sciences
Chumpol Supatutkul
Sittichain Pramchu
Atchara Punya Jareonjittichai
Yongyut Laosiritaworn
First principle study of the conductive type stability in Sn, Li and Li-Ni doped ZnO nanosheet
description © 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.
format Journal
author Chumpol Supatutkul
Sittichain Pramchu
Atchara Punya Jareonjittichai
Yongyut Laosiritaworn
author_facet Chumpol Supatutkul
Sittichain Pramchu
Atchara Punya Jareonjittichai
Yongyut Laosiritaworn
author_sort Chumpol Supatutkul
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
publishDate 2018
url https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85019741560&origin=inward
http://cmuir.cmu.ac.th/jspui/handle/6653943832/46523
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