Communication: Striking dependence of diffusion kinetics in Ag–Cu nanoalloys upon composition and quantum effects

Journal Article · Mon Jul 28 00:00:00 EDT 2014 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4891564· OSTI ID:22419909

Asgari, Mehdi ^[1]; Negreiros, Fabio R.; Sementa, Luca; Barcaro, Giovanni; Fortunelli, Alessandro ^[1]; Behnejad, Hassan ^[2]

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1. CNR-ICCOM and IPCF, Consiglio Nazionale delle Ricerche, via Giuseppe Moruzzi 1, 56124 Pisa (Italy)
2. Department of Physical Chemistry, University of Tehran, 14155 Tehran (Iran, Islamic Republic of)

The kinetics of elemental inter-diffusion in Ag–Cu nanoalloys of 32–34 atoms around 80:20 composition is theoretically investigated by combining analytic-potential and first-principles calculations. An extremely varied behavior is found, with transformation times ranging from tens of nanoseconds to weeks at room temperature in a narrow interval of size and composition, also depending on quantum effects in magic clusters. Predictions are consistent with time-of-flight experiments and suggest their interpretation in a new light.

• OSTI ID: 22419909
• Journal Information: Journal of Chemical Physics, Vol. 141, Issue 4; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
ATOMS
DIFFUSION
KINETICS