Study of structural and optical properties of CaMoO4 nanoparticles synthesized by the microwave-assisted solvothermal method

被引：35

作者：

Botelho, G. ^{[1
]}

Nogueira, I. C. ^{[2
]}

Moraes, E. ^{[1
]}

Longo, E. ^{[3
]}

机构：

[1] UFSCar Univ Fed Sao Carlos, INCTMN, POB 676, BR-13565905 Sao Carlos, SP, Brazil

[2] Inst Fed Maranhao, PPG Engn Mat, BR-65030005 Sao Luis, MA, Brazil

[3] UNESP Univ Estadual Paulista, INCTMN, POB 355, BR-14801907 Araraquara, SP, Brazil

来源：

MATERIALS CHEMISTRY AND PHYSICS | 2016年 / 183卷

基金：

巴西圣保罗研究基金会;

关键词：

Nanostructures; Precipitation; Photoluminescence spectroscopy and optical properties; PHOTOLUMINESCENCE PROPERTIES; LUMINESCENT PROPERTIES; ORIENTED ATTACHMENT; CALCIUM MOLYBDATE; GROWTH-MECHANISM; CRYSTALS; RAMAN; NANOCRYSTALS; REFINEMENT; COPRECIPITATION;

D O I：

10.1016/j.matchemphys.2016.08.008

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

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-O] and [Mo-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. (C) 2016 Elsevier B.V. All rights reserved.

引用

页码：110 / 120

页数：11

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