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article · Computational Condensed Matter

DFT study of distorted-cubic configuration CsZnX <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si77.svg" display="inline" id="d1e1524"> <mml:msub> <mml:mrow/> <mml:mrow> <mml:mn>3</mml:mn> </mml:mrow> </mml:msub> </mml:math> perovskites halide for thermoelectric, photocatalytic water splitting, and CO <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si288.svg" display="inline" id="d1e1532"> <mml:msub> <mml:mrow/> <mml:mrow> <mml:mn>2</mml:mn> </mml:mrow> </mml:msub> </mml:math> reduction applications

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Research topics

  • Perovskite Materials and Applications
  • Heusler alloys: electronic and magnetic properties
  • Advanced Photocatalysis Techniques

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DOI: 10.1016/j.cocom.2026.e01296

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