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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...

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Autores principales: Peng, Yi-Ting, Chiou, Shan-Haw, Hsiao, Ching-Hung, (Hao) Ouyang, Chuenhou, Tu, Chi-Shun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2017
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.
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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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