Near-Infrared Optical Response and Carrier Dynamics for High Photoconversion in Tellurene
Autor(a) principal: | |
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Data de Publicação: | 2022 |
Outros Autores: | |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UNESP |
Texto Completo: | http://dx.doi.org/10.1021/acs.jpcc.1c10526 http://hdl.handle.net/11449/240862 |
Resumo: | Materials for applications in solar cells require a combination of features including an appropriate band gap and long relaxation times for photoexcited hot carriers. On the basis of ab initio many-body perturbation theory, including the spin-orbit interaction, we investigate the photocarrier generation and dynamics in α-tellurene. We show that photoexcited electrons are mainly generated in the near-infrared range, starting at 0.89 eV and forming excitons that are strongly bound, compared to its bulk counterpart, with a binding energy of 0.31 eV. We also explore the role of the electron-phonon interaction, finding that the electronic states in the first conduction band minimum couples weakly with phonons, yielding longer hot electron lifetimes (up to 70 fs) and mean free paths up to 37 nm. We also show that the extraction of hot holes may result in a challenging task as these carriers possess sub-3 nm mean free paths. We finally estimate that 1-nm-thick α-Te provides a short-circuit current density of 6.7 mA/cm2and a maximum power conversion efficiency of 4.4%, which highlights its potential for efficient photovoltaic device development. |
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Near-Infrared Optical Response and Carrier Dynamics for High Photoconversion in TellureneMaterials for applications in solar cells require a combination of features including an appropriate band gap and long relaxation times for photoexcited hot carriers. On the basis of ab initio many-body perturbation theory, including the spin-orbit interaction, we investigate the photocarrier generation and dynamics in α-tellurene. We show that photoexcited electrons are mainly generated in the near-infrared range, starting at 0.89 eV and forming excitons that are strongly bound, compared to its bulk counterpart, with a binding energy of 0.31 eV. We also explore the role of the electron-phonon interaction, finding that the electronic states in the first conduction band minimum couples weakly with phonons, yielding longer hot electron lifetimes (up to 70 fs) and mean free paths up to 37 nm. We also show that the extraction of hot holes may result in a challenging task as these carriers possess sub-3 nm mean free paths. We finally estimate that 1-nm-thick α-Te provides a short-circuit current density of 6.7 mA/cm2and a maximum power conversion efficiency of 4.4%, which highlights its potential for efficient photovoltaic device development.Departamento de Ciencias Universidad Privada Del NorteFacultad de Ciencias Físicas Universidad Nacional Mayor de San MarcosInstituto de Física Teórica Universidade Estadual Paulista (UNESP), Rua Dr. Bento T. Ferraz, 271Instituto de Física Teórica Universidade Estadual Paulista (UNESP), Rua Dr. Bento T. Ferraz, 271Universidad Privada Del NorteUniversidad Nacional Mayor de San MarcosUniversidade Estadual Paulista (UNESP)Villegas, Cesar E. P.Rocha, Alexandre R. [UNESP]2023-03-01T20:36:04Z2023-03-01T20:36:04Z2022-04-14info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article6129-6134http://dx.doi.org/10.1021/acs.jpcc.1c10526Journal of Physical Chemistry C, v. 126, n. 14, p. 6129-6134, 2022.1932-74551932-7447http://hdl.handle.net/11449/24086210.1021/acs.jpcc.1c105262-s2.0-85128517605Scopusreponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengJournal of Physical Chemistry Cinfo:eu-repo/semantics/openAccess2023-03-01T20:36:05Zoai:repositorio.unesp.br:11449/240862Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462024-08-05T16:47:04.659008Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false |
dc.title.none.fl_str_mv |
Near-Infrared Optical Response and Carrier Dynamics for High Photoconversion in Tellurene |
title |
Near-Infrared Optical Response and Carrier Dynamics for High Photoconversion in Tellurene |
spellingShingle |
Near-Infrared Optical Response and Carrier Dynamics for High Photoconversion in Tellurene Villegas, Cesar E. P. |
title_short |
Near-Infrared Optical Response and Carrier Dynamics for High Photoconversion in Tellurene |
title_full |
Near-Infrared Optical Response and Carrier Dynamics for High Photoconversion in Tellurene |
title_fullStr |
Near-Infrared Optical Response and Carrier Dynamics for High Photoconversion in Tellurene |
title_full_unstemmed |
Near-Infrared Optical Response and Carrier Dynamics for High Photoconversion in Tellurene |
title_sort |
Near-Infrared Optical Response and Carrier Dynamics for High Photoconversion in Tellurene |
author |
Villegas, Cesar E. P. |
author_facet |
Villegas, Cesar E. P. Rocha, Alexandre R. [UNESP] |
author_role |
author |
author2 |
Rocha, Alexandre R. [UNESP] |
author2_role |
author |
dc.contributor.none.fl_str_mv |
Universidad Privada Del Norte Universidad Nacional Mayor de San Marcos Universidade Estadual Paulista (UNESP) |
dc.contributor.author.fl_str_mv |
Villegas, Cesar E. P. Rocha, Alexandre R. [UNESP] |
description |
Materials for applications in solar cells require a combination of features including an appropriate band gap and long relaxation times for photoexcited hot carriers. On the basis of ab initio many-body perturbation theory, including the spin-orbit interaction, we investigate the photocarrier generation and dynamics in α-tellurene. We show that photoexcited electrons are mainly generated in the near-infrared range, starting at 0.89 eV and forming excitons that are strongly bound, compared to its bulk counterpart, with a binding energy of 0.31 eV. We also explore the role of the electron-phonon interaction, finding that the electronic states in the first conduction band minimum couples weakly with phonons, yielding longer hot electron lifetimes (up to 70 fs) and mean free paths up to 37 nm. We also show that the extraction of hot holes may result in a challenging task as these carriers possess sub-3 nm mean free paths. We finally estimate that 1-nm-thick α-Te provides a short-circuit current density of 6.7 mA/cm2and a maximum power conversion efficiency of 4.4%, which highlights its potential for efficient photovoltaic device development. |
publishDate |
2022 |
dc.date.none.fl_str_mv |
2022-04-14 2023-03-01T20:36:04Z 2023-03-01T20:36:04Z |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://dx.doi.org/10.1021/acs.jpcc.1c10526 Journal of Physical Chemistry C, v. 126, n. 14, p. 6129-6134, 2022. 1932-7455 1932-7447 http://hdl.handle.net/11449/240862 10.1021/acs.jpcc.1c10526 2-s2.0-85128517605 |
url |
http://dx.doi.org/10.1021/acs.jpcc.1c10526 http://hdl.handle.net/11449/240862 |
identifier_str_mv |
Journal of Physical Chemistry C, v. 126, n. 14, p. 6129-6134, 2022. 1932-7455 1932-7447 10.1021/acs.jpcc.1c10526 2-s2.0-85128517605 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
Journal of Physical Chemistry C |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
6129-6134 |
dc.source.none.fl_str_mv |
Scopus reponame:Repositório Institucional da UNESP instname:Universidade Estadual Paulista (UNESP) instacron:UNESP |
instname_str |
Universidade Estadual Paulista (UNESP) |
instacron_str |
UNESP |
institution |
UNESP |
reponame_str |
Repositório Institucional da UNESP |
collection |
Repositório Institucional da UNESP |
repository.name.fl_str_mv |
Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP) |
repository.mail.fl_str_mv |
|
_version_ |
1808128700624928768 |