Electronic structure of organometal halide perovskite CH(3)NH(3)BiI(3) and optical absorption extending to infrared region

The electronic structure and optical absorption spectrum of organometal halide perovskite compound CH(3)NH(3)BiI(3) as a substituting candidate of well-concerned CH(3)NH(3)PbI(3) not only for environmental friendly consideration are studied using the first principles calculations. It is revealed tha...

Descripción completa

Detalles Bibliográficos
Autores principales: Zhu, H. X., Liu, J.-M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2016
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5114653/
https://www.ncbi.nlm.nih.gov/pubmed/27857201
http://dx.doi.org/10.1038/srep37425
_version_ 1782468379398897664
author Zhu, H. X.
Liu, J.-M.
author_facet Zhu, H. X.
Liu, J.-M.
author_sort Zhu, H. X.
collection PubMed
description The electronic structure and optical absorption spectrum of organometal halide perovskite compound CH(3)NH(3)BiI(3) as a substituting candidate of well-concerned CH(3)NH(3)PbI(3) not only for environmental friendly consideration are studied using the first principles calculations. It is revealed that a Bi replacement of Pb in CH(3)NH(3)PbI(3) does not change seriously the band edge structure but the bandgap becomes narrow. Consequently, CH(3)NH(3)BiI(3) exhibits not only stronger visible light absorption than CH(3)NH(3)PbI(3) does but more strong absorption in the infrared region, which is however absent in CH(3)NH(3)PbI(3). It is suggested that CH(3)NH(3)BiI(3) may be one of even more promising alternatives to CH(3)NH(3)PbI(3) for spectrum-broad and highly-efficient solar cells.
format Online
Article
Text
id pubmed-5114653
institution National Center for Biotechnology Information
language English
publishDate 2016
publisher Nature Publishing Group
record_format MEDLINE/PubMed
spelling pubmed-51146532016-11-25 Electronic structure of organometal halide perovskite CH(3)NH(3)BiI(3) and optical absorption extending to infrared region Zhu, H. X. Liu, J.-M. Sci Rep Article The electronic structure and optical absorption spectrum of organometal halide perovskite compound CH(3)NH(3)BiI(3) as a substituting candidate of well-concerned CH(3)NH(3)PbI(3) not only for environmental friendly consideration are studied using the first principles calculations. It is revealed that a Bi replacement of Pb in CH(3)NH(3)PbI(3) does not change seriously the band edge structure but the bandgap becomes narrow. Consequently, CH(3)NH(3)BiI(3) exhibits not only stronger visible light absorption than CH(3)NH(3)PbI(3) does but more strong absorption in the infrared region, which is however absent in CH(3)NH(3)PbI(3). It is suggested that CH(3)NH(3)BiI(3) may be one of even more promising alternatives to CH(3)NH(3)PbI(3) for spectrum-broad and highly-efficient solar cells. Nature Publishing Group 2016-11-18 /pmc/articles/PMC5114653/ /pubmed/27857201 http://dx.doi.org/10.1038/srep37425 Text en Copyright © 2016, 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
Zhu, H. X.
Liu, J.-M.
Electronic structure of organometal halide perovskite CH(3)NH(3)BiI(3) and optical absorption extending to infrared region
title Electronic structure of organometal halide perovskite CH(3)NH(3)BiI(3) and optical absorption extending to infrared region
title_full Electronic structure of organometal halide perovskite CH(3)NH(3)BiI(3) and optical absorption extending to infrared region
title_fullStr Electronic structure of organometal halide perovskite CH(3)NH(3)BiI(3) and optical absorption extending to infrared region
title_full_unstemmed Electronic structure of organometal halide perovskite CH(3)NH(3)BiI(3) and optical absorption extending to infrared region
title_short Electronic structure of organometal halide perovskite CH(3)NH(3)BiI(3) and optical absorption extending to infrared region
title_sort electronic structure of organometal halide perovskite ch(3)nh(3)bii(3) and optical absorption extending to infrared region
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5114653/
https://www.ncbi.nlm.nih.gov/pubmed/27857201
http://dx.doi.org/10.1038/srep37425
work_keys_str_mv AT zhuhx electronicstructureoforganometalhalideperovskitech3nh3bii3andopticalabsorptionextendingtoinfraredregion
AT liujm electronicstructureoforganometalhalideperovskitech3nh3bii3andopticalabsorptionextendingtoinfraredregion

Ejemplares similares