Augmented the Structure, Electronic and Optical Characteristics of PEO Doped NiO for Electronics Applications
This paper aims to investigate the structural, optical and electrical properties of PEO doped with NiO. The DFT calculations have been performed using Gaussian 09 package of programs. The calculated electronic properties included the total energy, HOMO and LUMO energies, energy gap, ionization energ...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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Vasyl Stefanyk Precarpathian National University
2021-09-01
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| Series: | Фізика і хімія твердого тіла |
| Subjects: | |
| Online Access: | https://journals.pnu.edu.ua/index.php/pcss/article/view/5105 |
| _version_ | 1818879302614122496 |
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| author | Huda Bukheet Hassan Hayder M. Abduljalil Ahmed Hashim |
| author_facet | Huda Bukheet Hassan Hayder M. Abduljalil Ahmed Hashim |
| author_sort | Huda Bukheet Hassan |
| collection | DOAJ |
| description | This paper aims to investigate the structural, optical and electrical properties of PEO doped with NiO. The DFT calculations have been performed using Gaussian 09 package of programs. The calculated electronic properties included the total energy, HOMO and LUMO energies, energy gap, ionization energy, electron affinity, electronegativity, electrochemical hardness, electronic softness and electrophilic index. The obtained results showed that the doping PEO with NiO improved the structural, optical, electronic and electrical characteristics where the energy band gap decreases about 67.4% with addition of NiO which make the (PEO-NiO) composites are promising materials for flexible optoelectronics fields in the development of electronics applications. |
| first_indexed | 2024-12-19T14:27:55Z |
| format | Article |
| id | doaj.art-f87a3d806db14931ab11ea3a528ec6e4 |
| institution | Directory Open Access Journal |
| issn | 1729-4428 2309-8589 |
| language | English |
| last_indexed | 2024-12-19T14:27:55Z |
| publishDate | 2021-09-01 |
| publisher | Vasyl Stefanyk Precarpathian National University |
| record_format | Article |
| series | Фізика і хімія твердого тіла |
| spelling | doaj.art-f87a3d806db14931ab11ea3a528ec6e42022-12-21T20:17:34ZengVasyl Stefanyk Precarpathian National UniversityФізика і хімія твердого тіла1729-44282309-85892021-09-0122350150810.15330/pcss.22.3.501-5085105Augmented the Structure, Electronic and Optical Characteristics of PEO Doped NiO for Electronics ApplicationsHuda Bukheet Hassan0Hayder M. Abduljalil1Ahmed Hashim2University of BabylonUniversity of BabylonUniversity of BabylonThis paper aims to investigate the structural, optical and electrical properties of PEO doped with NiO. The DFT calculations have been performed using Gaussian 09 package of programs. The calculated electronic properties included the total energy, HOMO and LUMO energies, energy gap, ionization energy, electron affinity, electronegativity, electrochemical hardness, electronic softness and electrophilic index. The obtained results showed that the doping PEO with NiO improved the structural, optical, electronic and electrical characteristics where the energy band gap decreases about 67.4% with addition of NiO which make the (PEO-NiO) composites are promising materials for flexible optoelectronics fields in the development of electronics applications.https://journals.pnu.edu.ua/index.php/pcss/article/view/5105peoniodftoptical propertieselectronics devicesgaussian 09 |
| spellingShingle | Huda Bukheet Hassan Hayder M. Abduljalil Ahmed Hashim Augmented the Structure, Electronic and Optical Characteristics of PEO Doped NiO for Electronics Applications Фізика і хімія твердого тіла peo nio dft optical properties electronics devices gaussian 09 |
| title | Augmented the Structure, Electronic and Optical Characteristics of PEO Doped NiO for Electronics Applications |
| title_full | Augmented the Structure, Electronic and Optical Characteristics of PEO Doped NiO for Electronics Applications |
| title_fullStr | Augmented the Structure, Electronic and Optical Characteristics of PEO Doped NiO for Electronics Applications |
| title_full_unstemmed | Augmented the Structure, Electronic and Optical Characteristics of PEO Doped NiO for Electronics Applications |
| title_short | Augmented the Structure, Electronic and Optical Characteristics of PEO Doped NiO for Electronics Applications |
| title_sort | augmented the structure electronic and optical characteristics of peo doped nio for electronics applications |
| topic | peo nio dft optical properties electronics devices gaussian 09 |
| url | https://journals.pnu.edu.ua/index.php/pcss/article/view/5105 |
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