Electronic properties of surface vacancies in CdS nanocrystals
<p>Structural and electronic characteristics of neutral and charged vacancies of cadmium and sulfur in CdS nanocrystals have been performed using the density functional method with hybrid exchange-correlation functional. Total and partial density of states, formation energies and the energies...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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Vasyl Stefanyk Precarpathian National University
2018-04-01
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| Series: | Фізика і хімія твердого тіла |
| Online Access: | http://journals.pu.if.ua/index.php/pcss/article/view/2610 |
| _version_ | 1828377965530972160 |
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| author | I. M. Kupchak N. F. Serpak O. A. Kapush D. V. Korbutyak |
| author_facet | I. M. Kupchak N. F. Serpak O. A. Kapush D. V. Korbutyak |
| author_sort | I. M. Kupchak |
| collection | DOAJ |
| description | <p>Structural and electronic characteristics of neutral and charged vacancies of cadmium and sulfur in CdS nanocrystals have been performed using the density functional method with hybrid exchange-correlation functional. Total and partial density of states, formation energies and the energies of thermodynamic transitions were calculated. Based on these theoretical findings and available experimental data, we can confirm the assumption, that the singly charged vacancies of cadmium are the centers of radiative recombination in such the structures.</p> <p><strong>Key</strong><strong> </strong><strong>words</strong><strong>:</strong> Cadmium sulfide, nanocrystal, photoluminescence, vacancy, density functional method.</p> |
| first_indexed | 2024-04-14T08:19:41Z |
| format | Article |
| id | doaj.art-e6d120016ad247e8a6e832c5da1fbf36 |
| institution | Directory Open Access Journal |
| issn | 1729-4428 2309-8589 |
| language | English |
| last_indexed | 2024-04-14T08:19:41Z |
| publishDate | 2018-04-01 |
| publisher | Vasyl Stefanyk Precarpathian National University |
| record_format | Article |
| series | Фізика і хімія твердого тіла |
| spelling | doaj.art-e6d120016ad247e8a6e832c5da1fbf362022-12-22T02:04:16ZengVasyl Stefanyk Precarpathian National UniversityФізика і хімія твердого тіла1729-44282309-85892018-04-01191343910.15330/pcss.19.1.34-392195Electronic properties of surface vacancies in CdS nanocrystalsI. M. Kupchak0N. F. Serpak1O. A. Kapush2D. V. Korbutyak3Інститут фізики напівпровідників ім. В.Є. Лашкарьова НАН УкраїниІнститут фізики напівпровідників ім. В.Є. Лашкарьова НАН УкраїниІнститут фізики напівпровідників ім. В.Є. Лашкарьова НАН УкраїниІнститут фізики напівпровідників ім. В.Є. Лашкарьова НАН України<p>Structural and electronic characteristics of neutral and charged vacancies of cadmium and sulfur in CdS nanocrystals have been performed using the density functional method with hybrid exchange-correlation functional. Total and partial density of states, formation energies and the energies of thermodynamic transitions were calculated. Based on these theoretical findings and available experimental data, we can confirm the assumption, that the singly charged vacancies of cadmium are the centers of radiative recombination in such the structures.</p> <p><strong>Key</strong><strong> </strong><strong>words</strong><strong>:</strong> Cadmium sulfide, nanocrystal, photoluminescence, vacancy, density functional method.</p>http://journals.pu.if.ua/index.php/pcss/article/view/2610 |
| spellingShingle | I. M. Kupchak N. F. Serpak O. A. Kapush D. V. Korbutyak Electronic properties of surface vacancies in CdS nanocrystals Фізика і хімія твердого тіла |
| title | Electronic properties of surface vacancies in CdS nanocrystals |
| title_full | Electronic properties of surface vacancies in CdS nanocrystals |
| title_fullStr | Electronic properties of surface vacancies in CdS nanocrystals |
| title_full_unstemmed | Electronic properties of surface vacancies in CdS nanocrystals |
| title_short | Electronic properties of surface vacancies in CdS nanocrystals |
| title_sort | electronic properties of surface vacancies in cds nanocrystals |
| url | http://journals.pu.if.ua/index.php/pcss/article/view/2610 |
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