1 Ocak 2021 Dergi makalesi Açık Erişim

Tunc, Gulenay; Zambrano-Angulo, Michael; Arslan, Baris Seckin; Guzel, Emre; Nebioglu, Mehmet; Ahsen, Vefa; Sisman, Ilkay; Cardenas-Jiron, Gloria; Gurek, Ayse Gul

Dublin Core

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  <dc:creator>Tunc, Gulenay</dc:creator>
  <dc:creator>Zambrano-Angulo, Michael</dc:creator>
  <dc:creator>Arslan, Baris Seckin</dc:creator>
  <dc:creator>Guzel, Emre</dc:creator>
  <dc:creator>Nebioglu, Mehmet</dc:creator>
  <dc:creator>Ahsen, Vefa</dc:creator>
  <dc:creator>Sisman, Ilkay</dc:creator>
  <dc:creator>Cardenas-Jiron, Gloria</dc:creator>
  <dc:creator>Gurek, Ayse Gul</dc:creator>
  <dc:date>2021-01-01</dc:date>
  <dc:description>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.</dc:description>
  <dc:identifier>https://aperta.ulakbim.gov.trrecord/232114</dc:identifier>
  <dc:identifier>oai:aperta.ulakbim.gov.tr:232114</dc:identifier>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>http://www.opendefinition.org/licenses/cc-by</dc:rights>
  <dc:source>DALTON TRANSACTIONS 50(8) 2981-2996</dc:source>
  <dc:title>Insight into the effects of the anchoring groups on the photovoltaic performance of unsymmetrical phthalocyanine based dye-sensitized solar cells</dc:title>
  <dc:type>info:eu-repo/semantics/article</dc:type>
  <dc:type>publication-article</dc:type>
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