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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{
  "@context": "https://schema.org/", 
  "@id": 232114, 
  "@type": "ScholarlyArticle", 
  "creator": [
    {
      "@type": "Person", 
      "affiliation": "Gebze Tech Univ, Dept Chem, Kocaeli, Turkey", 
      "name": "Tunc, Gulenay"
    }, 
    {
      "@type": "Person", 
      "affiliation": "Univ Santiago Chile USACH, Fac Chem & Biol, Lab Theoret Chem, Santiago, Chile", 
      "name": "Zambrano-Angulo, Michael"
    }, 
    {
      "@type": "Person", 
      "affiliation": "Sakarya Univ, Dept Chem, Sakarya, Turkey", 
      "name": "Arslan, Baris Seckin"
    }, 
    {
      "@type": "Person", 
      "affiliation": "Sakarya Univ Appl Sci, Fac Technol, Dept Fundamental Sci, Sakarya, Turkey", 
      "name": "Guzel, Emre"
    }, 
    {
      "@type": "Person", 
      "name": "Nebioglu, Mehmet"
    }, 
    {
      "@type": "Person", 
      "affiliation": "Gebze Tech Univ, Dept Chem, Kocaeli, Turkey", 
      "name": "Ahsen, Vefa"
    }, 
    {
      "@type": "Person", 
      "name": "Sisman, Ilkay"
    }, 
    {
      "@type": "Person", 
      "affiliation": "Univ Santiago Chile USACH, Fac Chem & Biol, Lab Theoret Chem, Santiago, Chile", 
      "name": "Cardenas-Jiron, Gloria"
    }, 
    {
      "@type": "Person", 
      "affiliation": "Gebze Tech Univ, Dept Chem, Kocaeli, Turkey", 
      "name": "Gurek, Ayse Gul"
    }
  ], 
  "datePublished": "2021-01-01", 
  "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 -> 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.", 
  "headline": "Insight into the effects of the anchoring groups on the photovoltaic performance of unsymmetrical phthalocyanine based dye-sensitized solar cells", 
  "identifier": 232114, 
  "image": "https://aperta.ulakbim.gov.tr/static/img/logo/aperta_logo_with_icon.svg", 
  "license": "http://www.opendefinition.org/licenses/cc-by", 
  "name": "Insight into the effects of the anchoring groups on the photovoltaic performance of unsymmetrical phthalocyanine based dye-sensitized solar cells", 
  "url": "https://aperta.ulakbim.gov.tr/record/232114"
}