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Tunc, Gulenay; Zambrano-Angulo, Michael; Arslan, Baris Seckin; Guzel, Emre; Nebioglu, Mehmet; Ahsen, Vefa; Sisman, Ilkay; Cardenas-Jiron, Gloria; Gurek, Ayse Gul
<?xml version='1.0' encoding='utf-8'?> <resource xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns="http://datacite.org/schema/kernel-4" xsi:schemaLocation="http://datacite.org/schema/kernel-4 http://schema.datacite.org/meta/kernel-4.1/metadata.xsd"> <identifier identifierType="URL">https://aperta.ulakbim.gov.tr/record/232114</identifier> <creators> <creator> <creatorName>Tunc, Gulenay</creatorName> <givenName>Gulenay</givenName> <familyName>Tunc</familyName> <affiliation>Gebze Tech Univ, Dept Chem, Kocaeli, Turkey</affiliation> </creator> <creator> <creatorName>Zambrano-Angulo, Michael</creatorName> <givenName>Michael</givenName> <familyName>Zambrano-Angulo</familyName> <affiliation>Univ Santiago Chile USACH, Fac Chem & Biol, Lab Theoret Chem, Santiago, Chile</affiliation> </creator> <creator> <creatorName>Arslan, Baris Seckin</creatorName> <givenName>Baris Seckin</givenName> <familyName>Arslan</familyName> <affiliation>Sakarya Univ, Dept Chem, Sakarya, Turkey</affiliation> </creator> <creator> <creatorName>Guzel, Emre</creatorName> <givenName>Emre</givenName> <familyName>Guzel</familyName> <affiliation>Sakarya Univ Appl Sci, Fac Technol, Dept Fundamental Sci, Sakarya, Turkey</affiliation> </creator> <creator> <creatorName>Nebioglu, Mehmet</creatorName> <givenName>Mehmet</givenName> <familyName>Nebioglu</familyName> </creator> <creator> <creatorName>Ahsen, Vefa</creatorName> <givenName>Vefa</givenName> <familyName>Ahsen</familyName> <affiliation>Gebze Tech Univ, Dept Chem, Kocaeli, Turkey</affiliation> </creator> <creator> <creatorName>Sisman, Ilkay</creatorName> <givenName>Ilkay</givenName> <familyName>Sisman</familyName> </creator> <creator> <creatorName>Cardenas-Jiron, Gloria</creatorName> <givenName>Gloria</givenName> <familyName>Cardenas-Jiron</familyName> <affiliation>Univ Santiago Chile USACH, Fac Chem & Biol, Lab Theoret Chem, Santiago, Chile</affiliation> </creator> <creator> <creatorName>Gurek, Ayse Gul</creatorName> <givenName>Ayse Gul</givenName> <familyName>Gurek</familyName> <affiliation>Gebze Tech Univ, Dept Chem, Kocaeli, Turkey</affiliation> </creator> </creators> <titles> <title>Insight Into The Effects Of The Anchoring Groups On The Photovoltaic Performance Of Unsymmetrical Phthalocyanine Based Dye-Sensitized Solar Cells</title> </titles> <publisher>Aperta</publisher> <publicationYear>2021</publicationYear> <dates> <date dateType="Issued">2021-01-01</date> </dates> <resourceType resourceTypeGeneral="Text">Journal article</resourceType> <alternateIdentifiers> <alternateIdentifier alternateIdentifierType="url">https://aperta.ulakbim.gov.tr/record/232114</alternateIdentifier> </alternateIdentifiers> <relatedIdentifiers> <relatedIdentifier relatedIdentifierType="DOI" relationType="IsIdenticalTo">10.1039/d0dt03696j</relatedIdentifier> </relatedIdentifiers> <rightsList> <rights rightsURI="http://www.opendefinition.org/licenses/cc-by">Creative Commons Attribution</rights> <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights> </rightsList> <descriptions> <description descriptionType="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 -&gt; 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.</description> </descriptions> </resource>
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