Revealing the influence of Cyano in Anchoring Groups of Organic Dyes on Adsorption Stability and Photovoltaic Properties for Dye-Sensitized Solar Cells

Abstract Determining an ideal adsorption configuration for a dye on the semiconductor surface is an important task in improving the overall efficiency of dye-sensitized solar cells. Here, we present a detailed investigation of different adsorption configurations of designed model dyes on TiO2 anatas...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Wei-Chieh Chen, Santhanamoorthi Nachimuthu, Jyh-Chiang Jiang
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/3d295de4af4b42f6a52b0e3fa3eaf6d3
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

id	oai:doaj.org-article:3d295de4af4b42f6a52b0e3fa3eaf6d3
record_format	dspace
spelling	oai:doaj.org-article:3d295de4af4b42f6a52b0e3fa3eaf6d32021-12-02T16:06:12ZRevealing the influence of Cyano in Anchoring Groups of Organic Dyes on Adsorption Stability and Photovoltaic Properties for Dye-Sensitized Solar Cells10.1038/s41598-017-05408-82045-2322https://doaj.org/article/3d295de4af4b42f6a52b0e3fa3eaf6d32017-07-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-05408-8https://doaj.org/toc/2045-2322Abstract Determining an ideal adsorption configuration for a dye on the semiconductor surface is an important task in improving the overall efficiency of dye-sensitized solar cells. Here, we present a detailed investigation of different adsorption configurations of designed model dyes on TiO2 anatase (101) surface using first principles methods. Particularly, we aimed to investigate the influence of cyano group in the anchoring part of dye on its adsorption stability and the overall photovoltaic properties such as open circuit voltage, electron injection ability to the surface. Our results indicate that the inclusion of cyano group increases the stability of adsorption only when it adsorbs via CN with the surface and it decreases the photovoltaic properties when it does not involve in binding. In addition, we also considered full dyes based on the results of model dyes and investigated the different strength of acceptor abilities on stability and electron injection ability. Among the various adsorption configurations considered here, the bidentate bridging mode (A3) is more appropriate one which has higher electron injection ability, larger VOC value and more importantly it has higher dye loading on the surface.Wei-Chieh ChenSanthanamoorthi NachimuthuJyh-Chiang JiangNature 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 Wei-Chieh Chen Santhanamoorthi Nachimuthu Jyh-Chiang Jiang Revealing the influence of Cyano in Anchoring Groups of Organic Dyes on Adsorption Stability and Photovoltaic Properties for Dye-Sensitized Solar Cells
description	Abstract Determining an ideal adsorption configuration for a dye on the semiconductor surface is an important task in improving the overall efficiency of dye-sensitized solar cells. Here, we present a detailed investigation of different adsorption configurations of designed model dyes on TiO2 anatase (101) surface using first principles methods. Particularly, we aimed to investigate the influence of cyano group in the anchoring part of dye on its adsorption stability and the overall photovoltaic properties such as open circuit voltage, electron injection ability to the surface. Our results indicate that the inclusion of cyano group increases the stability of adsorption only when it adsorbs via CN with the surface and it decreases the photovoltaic properties when it does not involve in binding. In addition, we also considered full dyes based on the results of model dyes and investigated the different strength of acceptor abilities on stability and electron injection ability. Among the various adsorption configurations considered here, the bidentate bridging mode (A3) is more appropriate one which has higher electron injection ability, larger VOC value and more importantly it has higher dye loading on the surface.
format	article
author	Wei-Chieh Chen Santhanamoorthi Nachimuthu Jyh-Chiang Jiang
author_facet	Wei-Chieh Chen Santhanamoorthi Nachimuthu Jyh-Chiang Jiang
author_sort	Wei-Chieh Chen
title	Revealing the influence of Cyano in Anchoring Groups of Organic Dyes on Adsorption Stability and Photovoltaic Properties for Dye-Sensitized Solar Cells
title_short	Revealing the influence of Cyano in Anchoring Groups of Organic Dyes on Adsorption Stability and Photovoltaic Properties for Dye-Sensitized Solar Cells
title_full	Revealing the influence of Cyano in Anchoring Groups of Organic Dyes on Adsorption Stability and Photovoltaic Properties for Dye-Sensitized Solar Cells
title_fullStr	Revealing the influence of Cyano in Anchoring Groups of Organic Dyes on Adsorption Stability and Photovoltaic Properties for Dye-Sensitized Solar Cells
title_full_unstemmed	Revealing the influence of Cyano in Anchoring Groups of Organic Dyes on Adsorption Stability and Photovoltaic Properties for Dye-Sensitized Solar Cells
title_sort	revealing the influence of cyano in anchoring groups of organic dyes on adsorption stability and photovoltaic properties for dye-sensitized solar cells
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/3d295de4af4b42f6a52b0e3fa3eaf6d3
work_keys_str_mv	AT weichiehchen revealingtheinfluenceofcyanoinanchoringgroupsoforganicdyesonadsorptionstabilityandphotovoltaicpropertiesfordyesensitizedsolarcells AT santhanamoorthinachimuthu revealingtheinfluenceofcyanoinanchoringgroupsoforganicdyesonadsorptionstabilityandphotovoltaicpropertiesfordyesensitizedsolarcells AT jyhchiangjiang revealingtheinfluenceofcyanoinanchoringgroupsoforganicdyesonadsorptionstabilityandphotovoltaicpropertiesfordyesensitizedsolarcells
_version_	1718385081192546304

Revealing the influence of Cyano in Anchoring Groups of Organic Dyes on Adsorption Stability and Photovoltaic Properties for Dye-Sensitized Solar Cells

Ejemplares similares