Study of structural and optical properties of CaMoO4 nanoparticles synthesized by the microwave-assisted solvothermal method
| Autor: | Gleice Botelho, Elson Longo, I. C. Nogueira, Eduardo Cardoso Moraes |
|---|---|
| Přispěvatelé: | Universidade Federal de São Carlos (UFSCar), PPG em Engenharia de Materiais, Universidade Estadual Paulista (Unesp) |
| Rok vydání: | 2016 |
| Předmět: |
Materials science
Photoluminescence Precipitation 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Nanostructures 0104 chemical sciences Tetragonal crystal system Crystallography Transmission electron microscopy Photoluminescence spectroscopy and optical properties Density of states Physical chemistry General Materials Science Density functional theory 0210 nano-technology Electronic band structure Spectroscopy High-resolution transmission electron microscopy |
| Zdroj: | Scopus Repositório Institucional da UNESP Universidade Estadual Paulista (UNESP) instacron:UNESP |
| ISSN: | 0254-0584 |
| DOI: | 10.1016/j.matchemphys.2016.08.008 |
| Popis: | Made available in DSpace on 2018-12-11T17:30:06Z (GMT). No. of bitstreams: 0 Previous issue date: 2016-11-01 Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) Calcium molybdate (CaMoO4) nanoparticles were synthesized by using a rapid assisted-microwave solvothermal method. X-ray diffraction measurements, Fourier transform Raman and Fourier transform infrared spectroscopies, revealed that the samples all have a scheelite-type tetragonal structure. In addition, the data obtained from the Rietveld refinements revealed distortions of the [Ca[sbnd]O] and [Mo[sbnd]O] bonds that led, in turn, to distortions of the [CaO8] and [MoO4] clusters. The presence of irregular spherical-like CaMoO4 nanoparticles and the corresponding crystallographic arrangement were confirmed and determined via transmission electron microscopy and high resolution transmission electron microscopy, respectively. First-principles quantum mechanical calculations based on the density functional theory at the B3LYP level were employed in order to understand the band structure and density of states of CaMoO4 in the excited singlet and triplet states. Furthermore, the optical properties were investigated by performing ultraviolet–visible spectroscopy and photoluminescence (PL) measurements. Maximum PL emission of CaMoO4 powders was detected in the green-region wavelength of the electromagnetic spectrum; this emission was attributed to the distorted [MoO4] clusters. INCTMN-UFSCar Universidade Federal de São Carlos, P.O. Box 676 Instituto Federal do Maranhão PPG em Engenharia de Materiais INCTMN-UNESP Universidade Estadual Paulista, P.O. Box 355, CEP INCTMN-UNESP Universidade Estadual Paulista, P.O. Box 355, CEP CNPq: 147001/2013-7 FAPESP: 2013/07296-2 CNPq: 573636/2008-7 |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
Full Text from ScienceDirect