1 Ocak 2022 Dergi makalesi Açık Erişim

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

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        "affiliation": "Marmara Univ, Dept Phys, TR-34722 Istanbul, Turkey", 
        "name": "Isleyen, N."
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      {
        "affiliation": "Marmara Univ, Dept Phys, TR-34722 Istanbul, Turkey", 
        "name": "Corcor, A."
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      {
        "affiliation": "Marmara Univ, Dept Phys, TR-34722 Istanbul, Turkey", 
        "name": "Cakirefe, S."
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      {
        "affiliation": "Marmara Univ, Dept Phys, TR-34722 Istanbul, Turkey", 
        "name": "Ormanli, N."
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      {
        "affiliation": "Marmara Univ, Dept Phys, TR-34722 Istanbul, Turkey", 
        "name": "Kanat, E. N."
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      {
        "affiliation": "Marmara Univ, Dept Phys, TR-34722 Istanbul, Turkey", 
        "name": "Yavuz, I"
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    "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.", 
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      "issue": "48", 
      "pages": "18385-18392", 
      "title": "JOURNAL OF MATERIALS CHEMISTRY C", 
      "volume": "10"
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    "publication_date": "2022-01-01", 
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    "title": "Accelerated discovery of defect tolerant organo-halide perovskites"
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