Connecting structural, optical, and electronic properties and photocatalytic activity of Ag3PO4:Mo complemented by DFT calculations

Author(s):Show less -

Trench, Aline Barrios ^[1] ; Machado, Thales Rafael ^[1] ; Gouveia, Amanda Fernandes ^[1] ; Assis, Marcelo ^[1] ; da Trindade, Leticia Guerreiro ^[2] ; Santos, Clayane ^[1] ; Perrin, Andre ^[3] ; Perrin, Christiane ^[3] ; Oliva, Monica ^[4] ; Andres, Juan ^[4] ; Longo, Elson ^[1]

Affiliation

^[1] Univ Fed Sao Carlos, CDMF, POB 676, BR-13565905 Sao Carlos, SP - Brazil

^[2] Univ Fed Rio Grande do Sul, Inst Chem, POB 15003, BR-91501970 Porto Alegre, RS - Brazil

^[3] Univ Rennes 1, Campus Beaulieu, Ave Gen Leclerc, F-35042 Rennes - France

^[4] Univ Jaume 1, Dept Analyt & Phys Chem, Castellon de La Plana 12071 - Spain

• Document type: Journal article
• Source: APPLIED CATALYSIS B-ENVIRONMENTAL; v. 238, p. 198-211, DEC 15 2018.
• Web of Science Citations: 9

Abstract

The present join experimental and theoretical work provides in-depth understanding on the relationship among structural, optical, and electronic properties and photocatalytic activity of Ag3PO4:Mo microcrystals. We prepared Ag3PO4 and (Mo-doped) Ag3PO4:Mo microcrystals using the chemical precipitation method. The as-synthetized samples have been characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy, transmission electron microscopy, high angle annular dark field scanning transmission electron microscopy (HAADF-STEM), energy-dispersive X-ray spectroscopy (EDS) techniques, and photoluminescence (PL) emission. Density functional theory calculations have been performed to complement the experimental results and understand the physical phenomena taking place in the structure, electronic and optical properties involved in the Mo doping process on the Ag3PO4, and consequently the photocatalytic performances of these new materials. XRD analysis showed that at a doping level below 2% the samples did not present any secondary phases, demonstrating that the Mo cations have been actually incorporated in the Ag3PO4 structure. Moreover, HAADF-STEM and EDS mapping showed that the samples were homogeneous, especially with respect to the Mo cations, and showed no signs of segregation. The E-gap value and PL measurements indicated that the doping process caused structural defects in the Ag3PO4 structure. The photocatalytic activity of both the pure and Mo-doped materials was tested for the degradation of Rhodamine B under visible light irradiation. The results demonstrated that the sample of Ag3PO4:Mo with 0.5% Mo had a faster degradation rate, approximately 92% after 5 min of irradiation, while the degradation rate of the pure sample was only 46% during the same time. (AU)

• FAPESP's process: 13/26671-9 - Theoretical and experimental study of multifunctional semiconductors
• Grantee: Amanda Fernandes Gouveia
• Support Opportunities: Scholarships in Brazil - Doctorate
• FAPESP's process: 13/07296-2 - CDMF - Center for the Development of Functional Materials
• Grantee: Elson Longo da Silva
• Support Opportunities: Research Grants - Research, Innovation and Dissemination Centers - RIDC