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First-principles simulation study on the impact of monovalent Cu ion doping on the crystal structure and electrical properties of lead-free perovskite Cs2AgBiBr6
NUCLEAR PHYSICS, INTERDISCIPLINARY RESEARCH | 更新时间：2024-10-25
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    • First-principles simulation study on the impact of monovalent Cu ion doping on the crystal structure and electrical properties of lead-free perovskite Cs2AgBiBr6

    • “In the field of nuclear radiation detection, lead-free perovskite Cs2AgBiBr6 material has attracted much attention. Research has found that Cu+doping can significantly improve its stability and photoelectric conversion rate. Based on first principles, experts used density functional theory to simulate and study the effect of Cu+doping on the structure and electrical properties of Cs2AgBiBr6. The results indicate that the stability of the doped material is improved, the bandgap is shortened, and it has better electrical properties, making it a candidate material for semiconductor radiation detectors.”
    • NUCLEAR TECHNIQUES   Vol. 47, Issue 4, Article number: 040503(2024)

    • DOI：10.11889/j.0253-3219.2024.hjs.47.040503    

      CLC： TL81

    • Received：20 November 2023，

      Revised：03 February 2024，

      Published：15 April 2024

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  • PAN Yangxuan,LIU Yibao,WEI Qianglin,et al.First-principles simulation study on the impact of monovalent Cu ion doping on the crystal structure and electrical properties of lead-free perovskite Cs2AgBiBr6[J].NUCLEAR TECHNIQUES,2024,47(04):040503. DOI： 10.11889/j.0253-3219.2024.hjs.47.040503.

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