Low Pr-doped Bi2O3 photocatalyst with long-wavelength response: mechanisms by first-principles calculation

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Low Pr-doped Bi2O3 photocatalyst with long-wavelength response: mechanisms by first-principles calculation

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The low Pr-doped Bi2O3 photocatalyst was prepared via the acrylamide polymerisation method. The photocatalytic activity of prepared samples was evaluated by degrading methyl orange under visible-light irradiation. In comparison to α-Bi2O3 nanoparticles, 4% Pr-α-Bi2O3 photocatalyst exhibit obviously enhanced photocatalytic performance. The theoretical calculation and experimental results show that Pr doping can extend the optical absorption range from 436 to 518 nm and improve the photocatalytic efficiency from 40.9 to 70.4%. This long-wavelength response can be happened because of Pr doping that gives rise to the modification of electron structure and the hybridisation of the energy levels.

Inspec keywords: semiconductor growth; polymerisation; visible spectra; catalysis; dyes; photochemistry; semiconductor doping; ultraviolet radiation effects; semiconductor materials; ab initio calculations; catalysts; nanofabrication; bismuth compounds; energy gap; nanoparticles; praseodymium; ultraviolet spectra

Other keywords: wavelength 436 nm to 518 nm; long-wavelength response:; α-bismuth oxide nanoparticles; energy level hybridisation; praseodymium-doped bismuth oxide photocatalyst; first principles calculation; optical absorption range; visible light irradiation; photocatalytic activity; acrylamide polymerisation; indirect band gap semiconductors; Bi2O3:Pr; electron structure; long-wavelength response; methyl orange degradation

Subjects: Radiation effects (semiconductor technology); Ultraviolet, visible and infrared radiation effects; Visible and ultraviolet spectra of other nonmetals; Structure of solid clusters, nanoparticles, nanotubes and nanostructured materials; Impurity concentration, distribution, and gradients; Oxide and ferrite semiconductors; Polymer reactions and polymerization; Ab initio calculations (condensed matter electronic structure); Semiconductor doping; Photolysis and photodissociation by IR, UV and visible radiation; Heterogeneous catalysis at surfaces and other surface reactions; Doping and implantation of impurities; Nanometre-scale semiconductor fabrication technology

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