By means of a combination of atomistic and density-functional theory calculations it is shown that small changes in composition, achieved by introducing a small percentage of impurities in a matrix nanoparticle, can have drastic effects on its structure even for quite large nanoparticle sizes, containing up to a few thousand atoms. This has the consequence that the nonscalable regime in binary nanoparticles can extend to significantly larger sizes than in single-component nanoparticles. Specific examples are given for the systems Cu-Ag, Ni-Ag, Co-Ag, Ni-Cu, Co-Au, Ni-Pd, and Rh-Ni.
Titolo: | Tuning the Structure of Nanoparticles by Small Concentrations of Impurities |
Autori: | Panizon, E.; Bochicchio, D.; Rossi, G.; Ferrando, R. |
Rivista: | |
Data di pubblicazione: | 2014 |
Volume: | 26 |
Fascicolo: | 11 |
Pagina iniziale: | 3354 |
Pagina finale: | 3356 |
Digital Object Identifier (DOI): | http://dx.doi.org/10.1021/cm501001f |
Appare nelle tipologie: | 1.1 Journal article |
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