Artículos de revistas
Hierarchical Assembly of CaMoO(4) Nano-Octahedrons and Their Photoluminescence Properties
Fecha
2011Registro en:
JOURNAL OF PHYSICAL CHEMISTRY C, v.115, n.13, p.5207-5219, 2011
1932-7447
10.1021/jp1082328
Autor
LONGO, Valeria M.
CAVALCANTE, Laecio S.
PARIS, Elaine C.
SCZANCOSKI, Julio C.
PIZANI, Paulo S.
SIU LI, Maximo
ANDRES, Juan
LONGO, Elson
VARELA, Jose A.
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.