articleJournal of Alloys and CompoundsJan 13, 2026Closed access

First-principles investigation of the structural, dynamic, mechanical, and optoelectronic features of novel K3SeBr anti-perovskite for photovoltaic and photocatalytic water splitting (solar-to-hydrogen production)

MEMd. Earshad AliKKKarim KriaaNINobiul IslamMSMd. Shizer RahmanNENoureddine Elboughdiri

National Institute of Technology Jamshedpur · Imam Mohammad ibn Saud Islamic University · +3 more institutions

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Keywords
  • Photocatalysis
  • Water splitting
  • Density functional theory
  • Band gap
  • Energy conversion efficiency
  • Visible spectrum
  • Photocatalytic water splitting
  • Valence (chemistry)
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