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

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  <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 &amp; 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 &amp; 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 -&amp;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>
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