1 Ocak 2022 Dergi makalesi Açık Erişim

Isleyen, N.; Corcor, A.; Cakirefe, S.; Ormanli, N.; Kanat, E. N.; Yavuz, I

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{
  "@context": "https://schema.org/", 
  "@id": 253269, 
  "@type": "ScholarlyArticle", 
  "creator": [
    {
      "@type": "Person", 
      "affiliation": "Marmara Univ, Dept Phys, TR-34722 Istanbul, Turkey", 
      "name": "Isleyen, N."
    }, 
    {
      "@type": "Person", 
      "affiliation": "Marmara Univ, Dept Phys, TR-34722 Istanbul, Turkey", 
      "name": "Corcor, A."
    }, 
    {
      "@type": "Person", 
      "affiliation": "Marmara Univ, Dept Phys, TR-34722 Istanbul, Turkey", 
      "name": "Cakirefe, S."
    }, 
    {
      "@type": "Person", 
      "affiliation": "Marmara Univ, Dept Phys, TR-34722 Istanbul, Turkey", 
      "name": "Ormanli, N."
    }, 
    {
      "@type": "Person", 
      "affiliation": "Marmara Univ, Dept Phys, TR-34722 Istanbul, Turkey", 
      "name": "Kanat, E. N."
    }, 
    {
      "@type": "Person", 
      "affiliation": "Marmara Univ, Dept Phys, TR-34722 Istanbul, Turkey", 
      "name": "Yavuz, I"
    }
  ], 
  "datePublished": "2022-01-01", 
  "description": "One of the most effective ways to increase power conversion efficiency and maintain stability in hybrid organic-inorganic perovskite (HOIP) semiconductor materials is to avoid defect formation. A rapid screening of defects and trap-states of many HOIP candidate materials is required. For this, we have implemented an \"accelerated\" material discovery strategy to predict the electronic structures and defects of HOIP-candidate materials by using artificial intelligence and density functional theory. We rationalize material classification and structure-property relationships. With this strategy, we were able to propose previously undiscovered HOIP materials that are defect-tolerant and active candidates for perovskite solar cells. We found that HOIPs are more sensitive to halide interstitial defects rather than halide vacancy defects. Semiconductor HOIPs typically form relatively unstable/shallow halide vacancy defects and stable/deep halide interstitial defects.", 
  "headline": "Accelerated discovery of defect tolerant organo-halide perovskites", 
  "identifier": 253269, 
  "image": "https://aperta.ulakbim.gov.tr/static/img/logo/aperta_logo_with_icon.svg", 
  "license": "http://www.opendefinition.org/licenses/cc-by", 
  "name": "Accelerated discovery of defect tolerant organo-halide perovskites", 
  "url": "https://aperta.ulakbim.gov.tr/record/253269"
}