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Remarkably enhanced photovoltaic effects and first-principles calculations in neodymium doped BiFeO(3)
Remarkably enhanced photovoltaic effects have been observed in the heterostructures of p-type A-site Nd(3+)-doped BiFeO(3) (Bi(0.9375)Nd(0.0625))FeO(3) (or BFONd) polycrystalline ceramics and the n-type ITO thin film. The maximum power conversion is ~0.82%, which is larger than 0.015% in BiFeO(3) (B...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5364538/ https://www.ncbi.nlm.nih.gov/pubmed/28337977 http://dx.doi.org/10.1038/srep45164 |
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author | Peng, Yi-Ting Chiou, Shan-Haw Hsiao, Ching-Hung (Hao) Ouyang, Chuenhou Tu, Chi-Shun |
author_facet | Peng, Yi-Ting Chiou, Shan-Haw Hsiao, Ching-Hung (Hao) Ouyang, Chuenhou Tu, Chi-Shun |
author_sort | Peng, Yi-Ting |
collection | PubMed |
description | Remarkably enhanced photovoltaic effects have been observed in the heterostructures of p-type A-site Nd(3+)-doped BiFeO(3) (Bi(0.9375)Nd(0.0625))FeO(3) (or BFONd) polycrystalline ceramics and the n-type ITO thin film. The maximum power conversion is ~0.82%, which is larger than 0.015% in BiFeO(3) (BFO) under blue-ultraviolet irradiation of wavelength λ = 405 nm. The current-voltage (I-V) characteristic curve suggests a p-n junction interface between the ITO thin film and BFO (or BFONd) ceramics. The band gaps calculated from first-principles for BFO and BFONd are respectively 2.25 eV and 2.23 eV, which are consistent with the experimental direct band gaps of 2.24 eV and 2.20 eV measured by optical transmission spectra. The reduction of the band gap in BFONd can be explained by the lower electronic Fermi level due to acceptor states revealed by first-principles calculations. The optical calculations show a larger absorption coefficient in BFONd than in BFO. |
format | Online Article Text |
id | pubmed-5364538 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | Nature Publishing Group |
record_format | MEDLINE/PubMed |
spelling | pubmed-53645382017-03-28 Remarkably enhanced photovoltaic effects and first-principles calculations in neodymium doped BiFeO(3) Peng, Yi-Ting Chiou, Shan-Haw Hsiao, Ching-Hung (Hao) Ouyang, Chuenhou Tu, Chi-Shun Sci Rep Article Remarkably enhanced photovoltaic effects have been observed in the heterostructures of p-type A-site Nd(3+)-doped BiFeO(3) (Bi(0.9375)Nd(0.0625))FeO(3) (or BFONd) polycrystalline ceramics and the n-type ITO thin film. The maximum power conversion is ~0.82%, which is larger than 0.015% in BiFeO(3) (BFO) under blue-ultraviolet irradiation of wavelength λ = 405 nm. The current-voltage (I-V) characteristic curve suggests a p-n junction interface between the ITO thin film and BFO (or BFONd) ceramics. The band gaps calculated from first-principles for BFO and BFONd are respectively 2.25 eV and 2.23 eV, which are consistent with the experimental direct band gaps of 2.24 eV and 2.20 eV measured by optical transmission spectra. The reduction of the band gap in BFONd can be explained by the lower electronic Fermi level due to acceptor states revealed by first-principles calculations. The optical calculations show a larger absorption coefficient in BFONd than in BFO. Nature Publishing Group 2017-03-24 /pmc/articles/PMC5364538/ /pubmed/28337977 http://dx.doi.org/10.1038/srep45164 Text en Copyright © 2017, The Author(s) http://creativecommons.org/licenses/by/4.0/ This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ |
spellingShingle | Article Peng, Yi-Ting Chiou, Shan-Haw Hsiao, Ching-Hung (Hao) Ouyang, Chuenhou Tu, Chi-Shun Remarkably enhanced photovoltaic effects and first-principles calculations in neodymium doped BiFeO(3) |
title | Remarkably enhanced photovoltaic effects and first-principles calculations in neodymium doped BiFeO(3) |
title_full | Remarkably enhanced photovoltaic effects and first-principles calculations in neodymium doped BiFeO(3) |
title_fullStr | Remarkably enhanced photovoltaic effects and first-principles calculations in neodymium doped BiFeO(3) |
title_full_unstemmed | Remarkably enhanced photovoltaic effects and first-principles calculations in neodymium doped BiFeO(3) |
title_short | Remarkably enhanced photovoltaic effects and first-principles calculations in neodymium doped BiFeO(3) |
title_sort | remarkably enhanced photovoltaic effects and first-principles calculations in neodymium doped bifeo(3) |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5364538/ https://www.ncbi.nlm.nih.gov/pubmed/28337977 http://dx.doi.org/10.1038/srep45164 |
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