dc.date.accessioned |
2021-06-04T08:06:02Z |
|
dc.date.available |
2021-06-04T08:06:02Z |
|
dc.date.issued |
2021 |
|
dc.identifier.issn |
1477-9226 |
|
dc.identifier.uri |
https://hdl.handle.net/20.500.12619/95538 |
|
dc.description |
The Scientific and Technological Research Council of Turkey (TUBITAK) is gratefully acknowledged for funding through the project 114M488 coupled to the COST Action MP1307. We thank the financial support of ANID/CHILE under the FONDECYT Project 1171719 (G. C.-J.). M. Z.-A. is grateful for the graduate fellowship awarded by the Vicerrectoria de Postgrado (VIPO) of USACH/CHILE. Powered@NLHPC: this research was partially supported by the supercomputing infrastructure of the NLHPC (ECM-02) of the Universidad de Chile. |
|
dc.description |
Bu yayının lisans anlaşması koşulları tam metin açık erişimine izin vermemektedir. |
|
dc.description.abstract |
Push-pull zinc phthalocyanine dyes bearing hexylsulfanyl moieties as electron donors and carboxyethynyl as mono- or di-anchoring groups have been designed, synthesized and tested as sensitizers in dye-sensitized solar cells (DSSCs). The effects of the anchoring groups on the optical, electrochemical and photovoltaic properties were investigated. The incorporation of a carboxyethynyl group in GT23 has a considerable effect on preventing dye aggregation due to its relatively non-planar structure. The mono-anchoring dye bearing a phenyl carboxyethynyl group, GT5, has a higher molar extinction coefficient and sufficient charge injection into the TiO2 conduction band. Therefore, GT5 achieved at least 90% higher power conversion efficiency than the di-anchoring dyes (GT31 and GT32). Time-dependent density functional theory (PBE0/6-31G(d,p)) was also used to calculate the electronic absorption spectra, which predicted very well the measured UV-Vis with an error of up to 0.11 eV for the Q bands and 0.3 eV for the B bands. The longest charge transfer bands are obtained in the visible light region and they correspond to a transfer phthalocyanine core -> substituent with a carboxyethynyl group where the absorptions of GT32 (465 nm) and GT31 (461 nm) are red-shifted compared to GT23 (429 nm) and GT5 (441 nm). The interaction energy between the phthalocyanine and a cluster of anatase-TiO2 (H4Ti40O82) was calculated using density functional theory. For all phthalocyanines, the interaction favored is monodentate and corresponds to -O(OH)MIDLINE HORIZONTAL ELLIPSISTi(TiO2), where the stronger interaction occurs for GT32 (-2.11 eV) and GT31 (-2.25 eV). This study presents the molecular combination of the anchoring groups in zinc phthalocyanine sensitizers, which is one of the effective strategies for improving the performance of DSSCs. |
|
dc.description.sponsorship |
Scientific and Technological Research Council of Turkey (TUBITAK)Turkiye Bilimsel ve Teknolojik Arastirma Kurumu (TUBITAK) [114M488]; COST ActionEuropean Cooperation in Science and Technology (COST) [MP1307]; ANID/CHILE under the FONDECYT Project [1171719]; Vicerrectoria de Postgrado (VIPO) of USACH/CHILE; Universidad de Chile [ECM-02] |
|
dc.language |
English |
|
dc.language |
İngilizce |
|
dc.language.iso |
eng |
|
dc.publisher |
ROYAL SOC CHEMISTRY |
|
dc.rights |
info:eu-repo/semantics/closedAccess |
|
dc.title |
Insight into the effects of the anchoring groups on the photovoltaic performance of unsymmetrical phthalocyanine based dye-sensitized solar cells |
|
dc.type |
Article |
|
dc.contributor.authorID |
Guzel, Emre/0000-0002-1142-3936 |
|
dc.contributor.authorID |
Guzel, Emre/0000-0002-1142-3936 |
|
dc.identifier.volume |
50 |
|
dc.identifier.startpage |
2981 |
|
dc.identifier.endpage |
2996 |
|
dc.relation.journal |
DALTON TRANSACTIONS |
|
dc.identifier.issue |
8 |
|
dc.identifier.wos |
WOS:000624242900030 |
|
dc.identifier.doi |
10.1039/d0dt03696j |
|
dc.identifier.eissn |
1477-9234 |
|
dc.contributor.author |
Tunc, Gulenay |
|
dc.contributor.author |
Zambrano-Angulo, Michael |
|
dc.contributor.author |
Arslan, Baris Seckin |
|
dc.contributor.author |
Guzel, Emre |
|
dc.contributor.author |
Nebioglu, Mehmet |
|
dc.contributor.author |
Ahsen, Vefa |
|
dc.contributor.author |
Sisman, Ilkay |
|
dc.contributor.author |
Cardenas-Jiron, Gloria |
|
dc.contributor.author |
Gurek, Ayse Gul |
|
dc.relation.publicationcategory |
Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı |
|
dc.identifier.pmıd |
33565528 |
|