Light penetration-coupled photoisomerization modeling for photodeformation of diarylethene single crystal: upscaling isomerization to macroscopic deformation

Abstract Diarylethene is one of the photo-responsive materials that show rapid and reversible changes in their color/electrochemical properties and macroscopic deformations in the crystalline phase by light irradiation. Photoisomerization is the main cause of the photo reactivity of diarylethene, an...

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Autores principales:	Muyoung Kim, Jung-Hoon Yun, Maenghyo Cho
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/7344fa2579b14e56a519aa0097d7fba0
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spelling	oai:doaj.org-article:7344fa2579b14e56a519aa0097d7fba02021-12-02T11:40:51ZLight penetration-coupled photoisomerization modeling for photodeformation of diarylethene single crystal: upscaling isomerization to macroscopic deformation10.1038/s41598-017-00910-52045-2322https://doaj.org/article/7344fa2579b14e56a519aa0097d7fba02017-04-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-00910-5https://doaj.org/toc/2045-2322Abstract Diarylethene is one of the photo-responsive materials that show rapid and reversible changes in their color/electrochemical properties and macroscopic deformations in the crystalline phase by light irradiation. Photoisomerization is the main cause of the photo reactivity of diarylethene, and we established a statistical model based on the density matrix formalism, which predicts quantitative isomerization progress as a population term. The model reflects photo-switching properties of the target molecule, which were characterized by first principle calculations, and external stimulus factors (light irradiation conditions and temperature). By merging light penetration physics with the model, we derived light penetration depth dependent isomerization progress to theoretically investigate photodeformation of single crystal. The model well reproduced in-plane shear deformation under ultraviolet light irradiation which would provide guideline for photoactuator design. In addition, the statistical model addressed crucial findings (primary stimuli and molecular design parameter for increasing the isomerization rate, external stimuli enhancing fluorescence performance) itself.Muyoung KimJung-Hoon YunMaenghyo ChoNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-13 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Muyoung Kim Jung-Hoon Yun Maenghyo Cho Light penetration-coupled photoisomerization modeling for photodeformation of diarylethene single crystal: upscaling isomerization to macroscopic deformation
description	Abstract Diarylethene is one of the photo-responsive materials that show rapid and reversible changes in their color/electrochemical properties and macroscopic deformations in the crystalline phase by light irradiation. Photoisomerization is the main cause of the photo reactivity of diarylethene, and we established a statistical model based on the density matrix formalism, which predicts quantitative isomerization progress as a population term. The model reflects photo-switching properties of the target molecule, which were characterized by first principle calculations, and external stimulus factors (light irradiation conditions and temperature). By merging light penetration physics with the model, we derived light penetration depth dependent isomerization progress to theoretically investigate photodeformation of single crystal. The model well reproduced in-plane shear deformation under ultraviolet light irradiation which would provide guideline for photoactuator design. In addition, the statistical model addressed crucial findings (primary stimuli and molecular design parameter for increasing the isomerization rate, external stimuli enhancing fluorescence performance) itself.
format	article
author	Muyoung Kim Jung-Hoon Yun Maenghyo Cho
author_facet	Muyoung Kim Jung-Hoon Yun Maenghyo Cho
author_sort	Muyoung Kim
title	Light penetration-coupled photoisomerization modeling for photodeformation of diarylethene single crystal: upscaling isomerization to macroscopic deformation
title_short	Light penetration-coupled photoisomerization modeling for photodeformation of diarylethene single crystal: upscaling isomerization to macroscopic deformation
title_full	Light penetration-coupled photoisomerization modeling for photodeformation of diarylethene single crystal: upscaling isomerization to macroscopic deformation
title_fullStr	Light penetration-coupled photoisomerization modeling for photodeformation of diarylethene single crystal: upscaling isomerization to macroscopic deformation
title_full_unstemmed	Light penetration-coupled photoisomerization modeling for photodeformation of diarylethene single crystal: upscaling isomerization to macroscopic deformation
title_sort	light penetration-coupled photoisomerization modeling for photodeformation of diarylethene single crystal: upscaling isomerization to macroscopic deformation
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/7344fa2579b14e56a519aa0097d7fba0
work_keys_str_mv	AT muyoungkim lightpenetrationcoupledphotoisomerizationmodelingforphotodeformationofdiarylethenesinglecrystalupscalingisomerizationtomacroscopicdeformation AT junghoonyun lightpenetrationcoupledphotoisomerizationmodelingforphotodeformationofdiarylethenesinglecrystalupscalingisomerizationtomacroscopicdeformation AT maenghyocho lightpenetrationcoupledphotoisomerizationmodelingforphotodeformationofdiarylethenesinglecrystalupscalingisomerizationtomacroscopicdeformation
_version_	1718395522907111424

Light penetration-coupled photoisomerization modeling for photodeformation of diarylethene single crystal: upscaling isomerization to macroscopic deformation

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