Prediction of dopant atom distribution on nanocrystals using thermodynamic arguments

A theoretical approach aiming at the prediction of segregation of dopant atoms on nanocrystalline systems is discussed here. It considers the free energy minimization argument in order to provide the most likely dopant distribution as a function of the total doping level. For this, it requires as input (i) a fixed polyhedral geometry with defined facets, and (ii) a set of functions that describe the surface energy as a function of dopant content for different crystallographic planes. Two Sb-doped SnO2 nanocrystalline systems with different morphology and dopant content were selected as a case study, and the calculation of the dopant distributions expected for them is presented in detail. The obtained results were compared to previously reported characterization of this system by a combination of HRTEM and surface energy calculations, and both methods are shown to be equivalent. Considering its application pre-requisites, the present theoretical approach can provide a first estimation of doping atom distribution for a wide range of nanocrystalline systems. We expect that its use will support the reduction of experimental effort for the characterization of doped nanocrystals, and also provide a solution to the characterization of systems where even state-of-art analytical techniques are limited.

Mylar Secondary Emission-energy Distribution and Yields

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Environmental factors modulating the abundance and distribution of Callinectes danae (Decapoda: Portunidae) from two areas of the southeastern coast of Brazil

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Limit on the pion distribution amplitude

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Analysis of hourly global, direct and diffuse solar radiations attenuation as a function of optical air mass

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Effects of age condition on the distribution and integrity of inorganic fillers in dental resin composites

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Compact setup for reflection holography with Bi12TiO 20 crystals

A novel optical setup for imaging through reflection holography with Bi12TiO20 (BTO) sillenite photorefractive crystals is proposed. Aiming a compact, robust and simple optical setup the lensless Denisiuk arrangement was chosen, using a He-Ne red laser as light source. In this setup the holographic medium is placed between the light source and the object. The beam impinging the crystal front face is the reference one, while the light scattered by the surface is the object beam in a holographic recording by diffusion. In order to allow the readout of the diffracted wave only and to keep the setup simplicity a polarizing beam splitter cube (PBS) was positioned at the BTO input. The reference beam is s-polarized (polarization direction perpendicular to the table top) and the crystal. 〈001〉-axis is rotated by an angle γ with respect to the input polarization in order to make the transmitted object beam and the diffracted beam to have orthogonal polarizations. While the transmitted wave is reflected by the PBS at a right angle, the diffracted wave carrying the holographic reconstruction of the object passes through the PBS, being collected by a positive lens in order to form the holographic image at a CCD camera. The holographic recording with the grating vector is parallel to the 〈100〉-axis. An expression for the diffracted wave intensity as a function of γ was derived, and this relation was experimentally investigated. © 2008 American Institute of Physics.

Cr+3 distribution in Al1 and Al2 Sites of alexandrite (BeAl2O4: Cr3+) induced by annealing, investigated by optical spectroscopy

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)