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Current Physical Chemistry

Editor-in-Chief

ISSN (Print): 1877-9468
ISSN (Online): 1877-9476

Freezing Distortions and Photoluminescence Property in PbMoO4 Micro- Octahedrons: An Experimental and Theoretical Study

Author(s): Eduardo De Moraes, Mauricio Bomio, Valeria M. Longo, Elson Longo and Jose A. Varela

Volume 4, Issue 1, 2014

Page: [4 - 14] Pages: 11

DOI: 10.2174/18779468113036660021

Price: $65

Abstract

In this paper, we report a detailed structural and electronic characterization of PbMoO4 crystals by using a conventional hydrothermal (CH) method. The samples were characterized by X-ray diffraction (XRD), Fourier transform Raman (FT-Raman), field-emission gun scanning electron microscopy (FEG-SEM) and photoluminescence (PL) measurements. In addition, first-principles quantum mechanical calculations based on the density functional theory were employed in order to understand the band structure and density of states for the PbMoO4. Analysis of both theoretical and experimental results allows to rationalize the role of order-disorder effects in the observed green PL emissions in these ordered powders.

Keywords: DFT calculations, hydrothermal synthesis, lead molybdate, photoluminescence.


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