Disentangling the structure, optical properties, and photoluminescence emissions of NiW_1-xMo_xO₄ (x=25, 50, and 75%) solid solutions: experimental and DFT studies

Author(s)

Gouveia, Amanda Fernandes ; Assis, Marcelo ; Ribeiro, Lara Kelly ; Gomes, Eduardo de Oliveira ; Teodoro, Marcio Daldin ; Longo, Elson ; Andres, Juan

• Document type: Journal article
• Source: JOURNAL OF MATERIALS CHEMISTRY C; v. N/A, p. 11-pg., 2025-02-24.

Abstract

Solid solutions, formed by combining two transition metal oxides with distinct properties, offer promising potential for optimizing functional characteristics that may be lacking in the parent materials. In this study, NiWO4 and NiMoO4 semiconductors and homogeneous NiW1-xMoxO4 (x = 25, 50, and 75%) solid solutions were successfully synthesized via a co-precipitation method followed by heat treatment, without any surfactants or toxic solvents. Using a combination of characterization techniques-including X-ray diffraction, Raman and infrared spectroscopy, X-ray fluorescence, diffuse reflectance spectroscopy, and photoluminescence (PL) spectroscopy-alongside density functional theory calculations, we elucidate the relationship between the structure, electronic properties, and PL emissions at the atomic level. Furthermore, we propose a relay mechanism in the conduction band, where an electron transport ladder through the Ni-O-W/Mo framework acts as a driving force to modulate PL emissions. (AU)

• FAPESP's process: 23/12399-7 - Influence of rare-earth doping on the BiVO4 photoanode structure for biomass degradation and fuel cells
• Grantee: Lara Kelly Ribeiro da Silva
• Support Opportunities: Scholarships in Brazil - Support Program for Fixating Young Doctors
• FAPESP's process: 23/01415-1 - Influence of rare-earth doping on the BiVO4 photoanode structure for biomass degradation and fuel cells
• Grantee: Lucia Helena Mascaro Sales
• Support Opportunities: Regular Research Grants
• FAPESP's process: 22/10340-2 - Scientific MUE: acquisition of a high temporal, spatial and spectral resolution fluorescence system operating over a wide temperature range
• Grantee: Gilmar Eugenio Marques
• Support Opportunities: Research Infrastructure Program - Scientific
• FAPESP's process: 23/08525-7 - Development of 3D marine collagen-based wound dressings enriched with functional nanoparticles for the regeneration of cutaneous wounds.
• Grantee: Marcelo de Assis
• Support Opportunities: Scholarships in Brazil - Post-Doctoral
• 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