Growth mechanism of octahedron-like BaMoO4 microcrystals processed in microwave-hydrothermal: Experimental observations and computational modeling--颗粒学报PARTICUOLOGY

Cavalcante, L. S., Sczancoski, J. C., Tranquilin, R. L., Varela, J. A., Longo, E., & Orlandi, M. O. (2009). Growth mechanism of octahedron-like BaMoO4 microcrystals processed in microwave-hydrothermal: Experimental observations and computational modeling. Particuology, 7(5), 353–362. https://doi.org/10.1016/j.partic.2009.05.002

Growth mechanism of octahedron-like BaMoO₄ microcrystals processed in microwave-hydrothermal: Experimental observations and computational modeling

Laécio Santos Cavalcante ^a *, Júlio César Sczancoski ^a, Rircado Luis Tranquilin ^a, José Arana Varela ^b, Elson Longo ^b, Marcelo Ornaghi Orlandi ^b

a Departamento de Química, UFSCar, P.O. Box 676, 13565-905, São Carlos, SP, Brazil
b Instituto de Química-UNESP, P.O. Box 355, 14801-907, Araraquara, SP, Brazil

10.1016/j.partic.2009.05.002

Volume 7, Issue 5, October 2009, Pages 353-362

Received 20 March 2009, Revised 5 May 2009, Accepted 16 May 2009, Available online 14 August 2009.

E-mail: laeciosc@bol.com.br

Highlights

Abstract

Octahedron-like BaMoO₄ microcrystals were synthesized by the co-precipitation method at room temperature and processed in microwave-hydrothermal at 413 K for different times (from 30 min to 5 h). These microcrystals were analyzed by X-ray diffraction (XRD), field-emission gun scanning electron microscopy (FEG-SEM) and transmission electron microscopy (TEM). XRD patterns showed that this material presents a tetragonal structure without the presence of deleterious phases. FEG-SEM and TEM micrographs revealed that the BaMoO₄ microcrystals present an octahedron-like morphology with agglomerate nature and polydisperse particle size distribution. These micrographs also indicated that the microcrystals grow along the [0 0 1] direction. The observed crystallographic planes in these structures were modeled computationally and a crystal growth model was proposed in order to explain the morphological changes as a function of processing time.

Graphical abstract

Keywords

BaMoO₄; Growth process; Microwave-hydrothermal; Supersaturated solution

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