A narrow band gap restricts photocatalytic applications of AgO nanoparticles, but appropriate doping can favorably modify this aspect. Given this, density functional theory (DFT) calculations were conducted, revealing that substitutional sulfur doping of AgO could increase its bandgap and stabilize oxygen vacancies. A hydrothermal precipitation protocol was employed to prepare sulfur-doped (S-doped) AgO nanoparticles. The band gap of the prepared nanoparticles increased to 1.89 eV with 1.25-mole percent S-doping. XPS analysis of the samples also revealed that S-doping increased oxygen vacancies in the prepared AgO nanoparticles. Furthermore, S-doping caused a major shift in the valence band position to a negative value. These doped AgO nanoparticles showed an enhanced visible-light photocatalytic activity towards rhodamine B (RhB) degradation.
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