Electronic Structure, Optical and Sensor Properties of ZnO Nanowires
Density functional theory calculations of structural, electronic and optical properties of nanowires ZnO were performed. The obtained results are showing that the band gap increase with the decrease of the ZnO nanowire size. The calculated ZnO nanowires dielectric function shows a significant bluesh...
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| Format: | Article |
| Language: | English |
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Sumy State University
2016-06-01
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| Series: | Журнал нано- та електронної фізики |
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| Online Access: | http://jnep.sumdu.edu.ua/download/numbers/2016/2/articles/jnep_2016_V8_02031.pdf |
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| _version_ | 1850172254884724736 |
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| author | O.V. Bovgyra M.V. Kovalenko |
| author_facet | O.V. Bovgyra M.V. Kovalenko |
| author_sort | O.V. Bovgyra |
| collection | DOAJ |
| description | Density functional theory calculations of structural, electronic and optical properties of nanowires ZnO were performed. The obtained results are showing that the band gap increase with the decrease of the ZnO nanowire size. The calculated ZnO nanowires dielectric function shows a significant blueshift with those of bulk ZnO. Our results give some reference to the thorough understanding of optical properties of ZnO, and also enable more precise monitoring and controlling during the growth of ZnO materials to be possible. Also theoretical calculations of adsorption of the different gases molecules on side of nanowires ZnO were performed. Their charge transfer to the nanowire sidewall is investigated in order to determine the donor or acceptor character of molecular adsorbing. |
| format | Article |
| id | doaj-art-cf9f6825e9e040a2828c05f98976e717 |
| institution | OA Journals |
| issn | 2077-6772 |
| language | English |
| publishDate | 2016-06-01 |
| publisher | Sumy State University |
| record_format | Article |
| series | Журнал нано- та електронної фізики |
| spelling | doaj-art-cf9f6825e9e040a2828c05f98976e7172025-08-20T02:20:07ZengSumy State UniversityЖурнал нано- та електронної фізики2077-67722016-06-018202031-102031-510.21272/jnep.8(2).02031Electronic Structure, Optical and Sensor Properties of ZnO NanowiresO.V. Bovgyra0M.V. Kovalenko1Ivan Franko National University of Lviv, 8a, Kyrylo and Mefodiy St., 79005 Lviv, UkraineIvan Franko National University of Lviv, 8a, Kyrylo and Mefodiy St., 79005 Lviv, UkraineDensity functional theory calculations of structural, electronic and optical properties of nanowires ZnO were performed. The obtained results are showing that the band gap increase with the decrease of the ZnO nanowire size. The calculated ZnO nanowires dielectric function shows a significant blueshift with those of bulk ZnO. Our results give some reference to the thorough understanding of optical properties of ZnO, and also enable more precise monitoring and controlling during the growth of ZnO materials to be possible. Also theoretical calculations of adsorption of the different gases molecules on side of nanowires ZnO were performed. Their charge transfer to the nanowire sidewall is investigated in order to determine the donor or acceptor character of molecular adsorbing.http://jnep.sumdu.edu.ua/download/numbers/2016/2/articles/jnep_2016_V8_02031.pdfZnO nanowiresDensity functionalElectronic structureOptical propertiesAdsorptio |
| spellingShingle | O.V. Bovgyra M.V. Kovalenko Electronic Structure, Optical and Sensor Properties of ZnO Nanowires Журнал нано- та електронної фізики ZnO nanowires Density functional Electronic structure Optical properties Adsorptio |
| title | Electronic Structure, Optical and Sensor Properties of ZnO Nanowires |
| title_full | Electronic Structure, Optical and Sensor Properties of ZnO Nanowires |
| title_fullStr | Electronic Structure, Optical and Sensor Properties of ZnO Nanowires |
| title_full_unstemmed | Electronic Structure, Optical and Sensor Properties of ZnO Nanowires |
| title_short | Electronic Structure, Optical and Sensor Properties of ZnO Nanowires |
| title_sort | electronic structure optical and sensor properties of zno nanowires |
| topic | ZnO nanowires Density functional Electronic structure Optical properties Adsorptio |
| url | http://jnep.sumdu.edu.ua/download/numbers/2016/2/articles/jnep_2016_V8_02031.pdf |
| work_keys_str_mv | AT ovbovgyra electronicstructureopticalandsensorpropertiesofznonanowires AT mvkovalenko electronicstructureopticalandsensorpropertiesofznonanowires |