The bandgap of sulfur-doped Ag2O nanoparticles

Abstract

A narrow band gap restricts photocatalytic applications of Ag2O nanoparticles, but appropriate doping can favorably modify this aspect. Given this, density functional theory (DFT) calculations were conducted, revealing that substitutional sulfur doping of Ag2O could increase its bandgap and stabilize oxygen vacancies. A hydrothermal precipitation protocol was employed to prepare sulfur-doped (S-doped) Ag2O 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 Ag2O nanoparticles. Furthermore, S-doping caused a major shift in the valence band position to a negative value. These doped Ag2O nanoparticles showed an enhanced visible-light photocatalytic activity towards rhodamine B (RhB) degradation. © 2023 The Royal Society of Chemistry.