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Giant bulk photovoltaic effect driven by the wall-to-wall charge shift in WS(2) nanotubes

The intrinsic light–matter characteristics of transition-metal dichalcogenides have not only been of great scientific interest but have also provided novel opportunities for the development of advanced optoelectronic devices. Among the family of transition-metal dichalcogenide structures, the one-di...

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Autores principales: Kim, Bumseop, Park, Noejung, Kim, Jeongwoo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9187746/
https://www.ncbi.nlm.nih.gov/pubmed/35688833
http://dx.doi.org/10.1038/s41467-022-31018-8
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author Kim, Bumseop
Park, Noejung
Kim, Jeongwoo
author_facet Kim, Bumseop
Park, Noejung
Kim, Jeongwoo
author_sort Kim, Bumseop
collection PubMed
description The intrinsic light–matter characteristics of transition-metal dichalcogenides have not only been of great scientific interest but have also provided novel opportunities for the development of advanced optoelectronic devices. Among the family of transition-metal dichalcogenide structures, the one-dimensional nanotube is particularly attractive because it produces a spontaneous photocurrent that is prohibited in its higher-dimensional counterparts. Here, we show that WS(2) nanotubes exhibit a giant shift current near the infrared region, amounting to four times the previously reported values in the higher frequency range. The wall-to-wall charge shift constitutes a key advantage of the one-dimensional nanotube geometry, and we consider a Janus-type heteroatomic configuration that can maximize this interwall effect. To assess the nonlinear effect of a strong field and the nonadiabatic effect of atomic motion, we carried out direct real-time integration of the photoinduced current using time-dependent density functional theory. Our findings provide a solid basis for a complete quantum mechanical understanding of the unique light–matter interaction hidden in the geometric characteristics of the reduced dimension.
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spelling pubmed-91877462022-06-12 Giant bulk photovoltaic effect driven by the wall-to-wall charge shift in WS(2) nanotubes Kim, Bumseop Park, Noejung Kim, Jeongwoo Nat Commun Article The intrinsic light–matter characteristics of transition-metal dichalcogenides have not only been of great scientific interest but have also provided novel opportunities for the development of advanced optoelectronic devices. Among the family of transition-metal dichalcogenide structures, the one-dimensional nanotube is particularly attractive because it produces a spontaneous photocurrent that is prohibited in its higher-dimensional counterparts. Here, we show that WS(2) nanotubes exhibit a giant shift current near the infrared region, amounting to four times the previously reported values in the higher frequency range. The wall-to-wall charge shift constitutes a key advantage of the one-dimensional nanotube geometry, and we consider a Janus-type heteroatomic configuration that can maximize this interwall effect. To assess the nonlinear effect of a strong field and the nonadiabatic effect of atomic motion, we carried out direct real-time integration of the photoinduced current using time-dependent density functional theory. Our findings provide a solid basis for a complete quantum mechanical understanding of the unique light–matter interaction hidden in the geometric characteristics of the reduced dimension. Nature Publishing Group UK 2022-06-10 /pmc/articles/PMC9187746/ /pubmed/35688833 http://dx.doi.org/10.1038/s41467-022-31018-8 Text en © The Author(s) 2022 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Kim, Bumseop
Park, Noejung
Kim, Jeongwoo
Giant bulk photovoltaic effect driven by the wall-to-wall charge shift in WS(2) nanotubes
title Giant bulk photovoltaic effect driven by the wall-to-wall charge shift in WS(2) nanotubes
title_full Giant bulk photovoltaic effect driven by the wall-to-wall charge shift in WS(2) nanotubes
title_fullStr Giant bulk photovoltaic effect driven by the wall-to-wall charge shift in WS(2) nanotubes
title_full_unstemmed Giant bulk photovoltaic effect driven by the wall-to-wall charge shift in WS(2) nanotubes
title_short Giant bulk photovoltaic effect driven by the wall-to-wall charge shift in WS(2) nanotubes
title_sort giant bulk photovoltaic effect driven by the wall-to-wall charge shift in ws(2) nanotubes
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9187746/
https://www.ncbi.nlm.nih.gov/pubmed/35688833
http://dx.doi.org/10.1038/s41467-022-31018-8
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