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Electronic, thermoelectric and optical properties of halide double perovskites: A DFT study using GGA, TB-mBJ, and HSE06.

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Title: Electronic, thermoelectric and optical properties of halide double perovskites: A DFT study using GGA, TB-mBJ, and HSE06.
Authors: Ahmad, Sohail1, Sohail@qlit.edu.cn, Shah, Muhammad Sanaullah2, Ullah, Asad1, Khan, Muhammad Yar1, Muhammad, Dost2, Ahmad, Waqar1, waqar.ahmad@qlit.edu.cn, Mu, Yang1, Fei, Xie1
Source: Journal of Molecular Graphics & Modelling; Jul2026, Vol. 146, pN.PAG-N.PAG, 1p
Database: Applied Science & Technology Source
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  Availability: 0
Header DbId: aci
DbLabel: Applied Science & Technology Source
An: 194297865
AccessLevel: 2
PubType: Academic Journal
PubTypeId: academicJournal
PreciseRelevancyScore: 0
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  Data: Electronic, thermoelectric and optical properties of halide double perovskites: A DFT study using GGA, TB-mBJ, and HSE06.
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  Data: <searchLink fieldCode="AU" term="%22Ahmad%2C+Sohail%22">Ahmad, Sohail</searchLink><relatesTo>1</relatesTo>, <i>Sohail@qlit.edu.cn</i><br /><searchLink fieldCode="AU" term="%22Shah%2C+Muhammad+Sanaullah%22">Shah, Muhammad Sanaullah</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AU" term="%22Ullah%2C+Asad%22">Ullah, Asad</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AU" term="%22Khan%2C+Muhammad+Yar%22">Khan, Muhammad Yar</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AU" term="%22Muhammad%2C+Dost%22">Muhammad, Dost</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AU" term="%22Ahmad%2C+Waqar%22">Ahmad, Waqar</searchLink><relatesTo>1</relatesTo>, <i>waqar.ahmad@qlit.edu.cn</i><br /><searchLink fieldCode="AU" term="%22Mu%2C+Yang%22">Mu, Yang</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AU" term="%22Fei%2C+Xie%22">Fei, Xie</searchLink><relatesTo>1</relatesTo>
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+Molecular+Graphics+%26+Modelling%22">Journal of Molecular Graphics & Modelling</searchLink>; Jul2026, Vol. 146, pN.PAG-N.PAG, 1p
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=aci&AN=194297865
RecordInfo BibRecord:
  BibEntity:
    Identifiers:
      – Type: doi
        Value: 10.1016/j.jmgm.2026.109418
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      – Code: eng
        Text: English
    PhysicalDescription:
      Pagination:
        PageCount: 1
        StartPage: N.PAG
    Titles:
      – TitleFull: Electronic, thermoelectric and optical properties of halide double perovskites: A DFT study using GGA, TB-mBJ, and HSE06.
        Type: main
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      – PersonEntity:
          Name:
            NameFull: Ahmad, Sohail
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            NameFull: Shah, Muhammad Sanaullah
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            NameFull: Ullah, Asad
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            NameFull: Khan, Muhammad Yar
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            NameFull: Muhammad, Dost
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            NameFull: Ahmad, Waqar
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            NameFull: Mu, Yang
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            NameFull: Fei, Xie
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          Dates:
            – D: 01
              M: 07
              Text: Jul2026
              Type: published
              Y: 2026
          Identifiers:
            – Type: issn-print
              Value: 10933263
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              Value: 146
          Titles:
            – TitleFull: Journal of Molecular Graphics & Modelling
              Type: main
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