%0 Journal Article %1 Stroppa2009 %A Stroppa, Daniel G. %A Montoro, Luciano A. %A Beltrán, Armando %A Conti, Tiago G. %A da Silva, Rafael O. %A Andrés, Juan %A Longo, Elson %A Leite, Edson R. %A Ramirez, Antonio J. %D 2009 %J Journal of the American Chemical Society %K SnO2 nanoparticles shape %N 40 %P 14544-14548 %R 10.1021/ja905896u %T Unveiling the Chemical and Morphological Features of SbSnO2 Nanocrystals by the Combined Use of High-Resolution Transmission Electron Microscopy and ab Initio Surface Energy Calculations %U http://pubs.acs.org/doi/abs/10.1021/ja905896u %V 131 %X Modeling of nanocrystals supported by advanced morphological and chemical characterization is a unique tool for the development of reliable nanostructured devices, which depends on the ability to synthesize and characterize materials on the atomic scale. Among the most significant challenges in nanostructural characterization is the evaluation of crystal growth mechanisms and their dependence on the shape of nanoparticles and the distribution of doping elements. This paper presents a new strategy to characterize nanocrystals, applied here to antimony-doped tin oxide (Sb−SnO2) (ATO) by the combined use of experimental and simulated high-resolution transmission electron microscopy (HRTEM) images and surface energy ab initio calculations. The results show that the Wulff construction can not only describe the shape of nanocrystals as a function of surface energy distribution but also retrieve quantitative information on dopant distribution by the dimensional analysis of nanoparticle shapes. In addition, a novel three-dimensional evaluation of an oriented attachment growth mechanism is provided in the proposed methodology. This procedure is a useful approach for faceted nanocrystal shape modeling and indirect quantitative evaluation of dopant spatial distribution, which are difficult to evaluate by other techniques.

@article{Stroppa2009, abstract = { Modeling of nanocrystals supported by advanced morphological and chemical characterization is a unique tool for the development of reliable nanostructured devices, which depends on the ability to synthesize and characterize materials on the atomic scale. Among the most significant challenges in nanostructural characterization is the evaluation of crystal growth mechanisms and their dependence on the shape of nanoparticles and the distribution of doping elements. This paper presents a new strategy to characterize nanocrystals, applied here to antimony-doped tin oxide (Sb−SnO2) (ATO) by the combined use of experimental and simulated high-resolution transmission electron microscopy (HRTEM) images and surface energy ab initio calculations. The results show that the Wulff construction can not only describe the shape of nanocrystals as a function of surface energy distribution but also retrieve quantitative information on dopant distribution by the dimensional analysis of nanoparticle shapes. In addition, a novel three-dimensional evaluation of an oriented attachment growth mechanism is provided in the proposed methodology. This procedure is a useful approach for faceted nanocrystal shape modeling and indirect quantitative evaluation of dopant spatial distribution, which are difficult to evaluate by other techniques. }, added-at = {2010-08-19T14:27:10.000+0200}, author = {Stroppa, Daniel G. and Montoro, Luciano A. and Beltrán, Armando and Conti, Tiago G. and da Silva, Rafael O. and Andrés, Juan and Longo, Elson and Leite, Edson R. and Ramirez, Antonio J.}, biburl = {https://www.bibsonomy.org/bibtex/27096c9666d5d47c5578ab05cc75095da/pmd}, description = {Unveiling the Chemical and Morphological Features of Sb−SnO2 Nanocrystals by the Combined Use of High-Resolution Transmission Electron Microscopy and ab Initio Surface Energy Calculations - Journal of the American Chemical Society (ACS Publications)}, doi = {10.1021/ja905896u}, eprint = {http://pubs.acs.org/doi/pdf/10.1021/ja905896u}, file = {Stroppa2009.pdf:Stroppa2009.pdf:PDF}, groups = {public}, interhash = {57c20eeb09d986cce04043ed7cc280d9}, intrahash = {7096c9666d5d47c5578ab05cc75095da}, journal = {Journal of the American Chemical Society}, keywords = {SnO2 nanoparticles shape}, note = {PMID: 19807192}, number = 40, pages = {14544-14548}, timestamp = {2011-09-27T11:23:38.000+0200}, title = {Unveiling the Chemical and Morphological Features of SbSnO2 Nanocrystals by the Combined Use of High-Resolution Transmission Electron Microscopy and ab Initio Surface Energy Calculations}, url = {http://pubs.acs.org/doi/abs/10.1021/ja905896u}, username = {pmd}, volume = 131, year = 2009 }