Electronic Structure, Morphological Aspects, and Photocatalytic Discoloration of Three Organic Dyes with MgWO4 Powders Synthesized by the Complex Polymerization Method

Autor(es)

Gouveia, A. F. ^[1] ; Vieira, V. E. M. ^[1] ; Sczancoski, J. C. ^[2] ; Lemos, P. S. ^[2] ; Rout, S. K. ^[3] ; Arul, N. S. ^[4] ; Longo, E. ^[2] ; Cavalcante, L. S. ^[1]

Afiliação do(s) autor(es)

^[1] Univ Estadual Piaui, PPGQ GERATEC, Rua Joao Cabral, 2231, POB 381, BR-64002150 Teresina, PI - Brazil

^[2] Univ Fed Sao Carlos, Dept Quim & Engn Mat, CDMF UFSCar, POB 676, BR-13565905 Sao Carlos, SP - Brazil

^[3] Birla Inst Technol, Dept Phys, Ranchi, Bihar - India

^[4] Dongguk Univ Seoul, Dept Chem & Biochem Engn, Seoul 04620 - South Korea

• Tipo de documento: Artigo Científico
• Fonte: Journal of Inorganic and Organometallic Polymers and Materials; v. 30, n. 8 JAN 2020.
• Citações Web of Science: 0

Resumo

Heterogeneous photocatalytic (PC) degradation of organic dyes in aqueous solution with semiconductor oxides has been very effective in relation to conventional methods for the wastewater treatment. In this paper, MgWO4 powder was synthesized by the complex polymerization method and heat-treated at 900 degrees C for 2 h. Their structure, morphology and optical behavior were characterized by different techniques. First-principles quantum mechanical calculations based on the DFT in the B3LYP level was employed to obtain their electronic band structure (EBS) and density of state (DOS). Moreover, we have investigated the PC properties for the discoloration of three organic dyes. XRD patterns indicate that MgWO4 powders present a monoclinic structure. FE-SEM and TEM images showed that these powders are composed of several nanoparticles. UV-Vis spectrum displays an optical band gap of 4.33 eV, while EBS calculation showed a direct band gap value of 4.49 eV. DOS data revealed that the main orbitals involved in the electronic structure are O-2p orbitals in the valence band and W-5d orbitals in the conduction band. Finally, it was obtained the best PC activity of MgWO4 powders with discoloration of 84% for bromocresol green dye, while the discoloration for methyl orange and rhodamine B dyes were 56% and 29%, respectively. {[}GRAPHICS] . Graphic The electronic structure, morphology and photocatalytic properties of MgWO4 powders synthesized by complex polymerization method calcinated at 900 degrees C for 2 h have been explained for the first time. (AU)

• Processo FAPESP: 12/14004-5 - Investigação das propriedades fotoluminescentes e fotocatalíticas de pós de BaWO4 e BaMoO4 puros e dopados com Mn, Cu e Zn
• Beneficiário: Júlio César Sczancoski
• Modalidade de apoio: Bolsas no Brasil - Pós-Doutorado
• Processo FAPESP: 13/26671-9 - Estudo teórico-experimental de semicondutores multifuncionais
• Beneficiário: Amanda Fernandes Gouveia
• Modalidade de apoio: Bolsas no Brasil - Doutorado
• Processo FAPESP: 17/11986-5 - Geração e Armazenamento de Novas Energias: trazendo desenvolvimento tecnológico para o país
• Beneficiário: Ana Flávia Nogueira
• Modalidade de apoio: Auxílio à Pesquisa - Programa Centros de Pesquisa em Engenharia