1 Ocak 2022 Dergi makalesi Açık Erişim

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

Dublin Core

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<oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
  <dc:creator>Isleyen, N.</dc:creator>
  <dc:creator>Corcor, A.</dc:creator>
  <dc:creator>Cakirefe, S.</dc:creator>
  <dc:creator>Ormanli, N.</dc:creator>
  <dc:creator>Kanat, E. N.</dc:creator>
  <dc:creator>Yavuz, I</dc:creator>
  <dc:date>2022-01-01</dc:date>
  <dc: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.</dc:description>
  <dc:identifier>https://aperta.ulakbim.gov.trrecord/253269</dc:identifier>
  <dc:identifier>oai:aperta.ulakbim.gov.tr:253269</dc:identifier>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>http://www.opendefinition.org/licenses/cc-by</dc:rights>
  <dc:source>JOURNAL OF MATERIALS CHEMISTRY C 10(48) 18385-18392</dc:source>
  <dc:title>Accelerated discovery of defect tolerant organo-halide perovskites</dc:title>
  <dc:type>info:eu-repo/semantics/article</dc:type>
  <dc:type>publication-article</dc:type>
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