Dopant segregation analysis on Sb:SnO2 nanocrystals
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Scholar |
Otros documentos de la autoría: Beltran, Armando; Stroppa, Daniel G.; Montoro, Luciano A.; Conti, Tiago G.; Da Silva, Rafael O.; Andres, Juan; Leite, Edson R.; Ramírez, Antonio J.
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http://dx.doi.org/10.1002/chem.201100972 |
Metadatos
Título
Dopant segregation analysis on Sb:SnO2 nanocrystalsAutoría
Fecha de publicación
2011-08-26Editor
WileyCita bibliográfica
Chem. Eur. J. (2011), 17, 11515 – 11519Tipo de documento
info:eu-repo/semantics/articleVersión de la editorial
http://onlinelibrary.wiley.com/store/10.1002/chem.201100972/asset/11515_ftp.pdf? ...Versión
info:eu-repo/semantics/publishedVersionPalabras clave / Materias
Antimony | Doping | Molecular modeling | Nanostructures | Surface chemistry | Tin | Antimony | Nanostructures | Surface chemistry | Tin | Estany | Antimoni | Nanoestructures | Superfície química
Resumen
The development of reliable
nanostructured devices is intrinsically
dependent on the description and manipulation of materials properties at
the atomic scale. Consequently, several
technological advances are ... [+]
The development of reliable
nanostructured devices is intrinsically
dependent on the description and manipulation of materials properties at
the atomic scale. Consequently, several
technological advances are dependent
on improvements in the characterization techniques and in the models used
to describe the properties of nanosized
materials as a function of the synthesis
parameters. The evaluation of doping
element distributions in nanocrystals is
directly linked to fundamental aspects
that define the properties of the material, such as surface-energy distribution, nanoparticle shape, and crystal
growth mechanism. However, this is
still one of the most challenging tasks
in the characterization of materials because of the required spatial resolution
and other various restrictions from
quantitative characterization techniques, such as sample degradation and
signal-to-noise ratio. This paper addresses the dopant segregation characterization for two antimony-doped tin
oxide (Sb:SnO2
) systems, with different
Sb doping levels, by the combined use
of experimental and simulated highresolution transmission electron microscopy (HRTEM) images and surface-energy ab initio calculations. The
applied methodology provided threedimensional models with geometrical
and compositional information that
were demonstrated to be self-consistent
and correspond to the systems mean
properties. The results evidence that
the dopant distribution configuration is
dependent on the system composition
and that dopant atom redistribution
may be an active mechanism for the
overall surface-energy minimization. [-]
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