Dopant segregation analysis on Sb:SnO2 nanocrystals
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Other documents of the author: 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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Show full item recordcomunitat-uji-handle:10234/9
comunitat-uji-handle2:10234/7013
comunitat-uji-handle3:10234/8638
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http://dx.doi.org/10.1002/chem.201100972 |
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Title
Dopant segregation analysis on Sb:SnO2 nanocrystalsAuthor (s)
Date
2011-08-26Publisher
WileyBibliographic citation
Chem. Eur. J. (2011), 17, 11515 – 11519Type
info:eu-repo/semantics/articlePublisher version
http://onlinelibrary.wiley.com/store/10.1002/chem.201100972/asset/11515_ftp.pdf? ...Version
info:eu-repo/semantics/publishedVersionSubject
Antimony | Doping | Molecular modeling | Nanostructures | Surface chemistry | Tin | Antimony | Nanostructures | Surface chemistry | Tin | Estany | Antimoni | Nanoestructures | Superfície química
Abstract
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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