1 Ocak 2022 Dergi makalesi Açık Erişim

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

DataCite XML

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  <identifier identifierType="URL">https://aperta.ulakbim.gov.tr/record/253269</identifier>
  <creators>
    <creator>
      <creatorName>Isleyen, N.</creatorName>
      <givenName>N.</givenName>
      <familyName>Isleyen</familyName>
      <affiliation>Marmara Univ, Dept Phys, TR-34722 Istanbul, Turkey</affiliation>
    </creator>
    <creator>
      <creatorName>Corcor, A.</creatorName>
      <givenName>A.</givenName>
      <familyName>Corcor</familyName>
      <affiliation>Marmara Univ, Dept Phys, TR-34722 Istanbul, Turkey</affiliation>
    </creator>
    <creator>
      <creatorName>Cakirefe, S.</creatorName>
      <givenName>S.</givenName>
      <familyName>Cakirefe</familyName>
      <affiliation>Marmara Univ, Dept Phys, TR-34722 Istanbul, Turkey</affiliation>
    </creator>
    <creator>
      <creatorName>Ormanli, N.</creatorName>
      <givenName>N.</givenName>
      <familyName>Ormanli</familyName>
      <affiliation>Marmara Univ, Dept Phys, TR-34722 Istanbul, Turkey</affiliation>
    </creator>
    <creator>
      <creatorName>Kanat, E. N.</creatorName>
      <givenName>E. N.</givenName>
      <familyName>Kanat</familyName>
      <affiliation>Marmara Univ, Dept Phys, TR-34722 Istanbul, Turkey</affiliation>
    </creator>
    <creator>
      <creatorName>Yavuz, I</creatorName>
      <givenName>I</givenName>
      <familyName>Yavuz</familyName>
      <affiliation>Marmara Univ, Dept Phys, TR-34722 Istanbul, Turkey</affiliation>
    </creator>
  </creators>
  <titles>
    <title>Accelerated Discovery Of Defect Tolerant Organo-Halide Perovskites</title>
  </titles>
  <publisher>Aperta</publisher>
  <publicationYear>2022</publicationYear>
  <dates>
    <date dateType="Issued">2022-01-01</date>
  </dates>
  <resourceType resourceTypeGeneral="Text">Journal article</resourceType>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://aperta.ulakbim.gov.tr/record/253269</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsIdenticalTo">10.1039/d2tc03236h</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">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.</description>
  </descriptions>
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