Artículos de revistas
Hierarchical Assembly of CaMoO4 Nano-Octahedrons and Their Photoluminescence Properties
Fecha
2011-04-07Registro en:
Journal of Physical Chemistry C. Washington: Amer Chemical Soc, v. 115, n. 13, p. 5207-5219, 2011.
1932-7447
10.1021/jp1082328
WOS:000288885900003
Autor
Universidade Estadual Paulista (Unesp)
Universidade Federal de São Carlos (UFSCar)
Universidade de São Paulo (USP)
Univ Jaume 1
Institución
Resumen
Hierarchical assemblies of CaMoO4 (CM) nano-octahedrons were obtained by microwave-assisted hydrothemial synthesis at 120 degrees C for different times. These structures were structurally, morphologically and optically characterized by X-ray diffraction, micro-Raman spectroscopy, field-emission gun scanning electron microscopy, ultraviolet-visible absorption spectroscopy and photoluminescence measurements. First-principle calculations have been carried out to understand the structural and electronic order-disorder effects as a function of the particle/region size. Supercells of different dimensions were constructed to simulate the geometric distortions along both they and z planes of the scheelite structure. Based on these experimental results and with the help of detailed structural simulations, we were able to model the nature of the order-disorder in this important class of materials and discuss the consequent implications on its physical properties, in particular, the photoluminescence properties of CM nanocrystals.