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

Abstract

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.

Authors:
 [1];  [2]; ; ; ;  [1];  [3]
  1. CNR-ICCOM and IPCF, Consiglio Nazionale delle Ricerche, via Giuseppe Moruzzi 1, 56124 Pisa (Italy)
  2. (Iran, Islamic Republic of)
  3. Department of Physical Chemistry, University of Tehran, 14155 Tehran (Iran, Islamic Republic of)
Publication Date:
OSTI Identifier:
22419909
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 141; Journal Issue: 4; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ATOMS; DIFFUSION; KINETICS

Citation Formats

Asgari, Mehdi, Department of Physical Chemistry, University of Tehran, 14155 Tehran, Negreiros, Fabio R., Sementa, Luca, Barcaro, Giovanni, Fortunelli, Alessandro, E-mail: alessandro.fortunelli@cnr.it, and Behnejad, Hassan. Communication: Striking dependence of diffusion kinetics in Ag–Cu nanoalloys upon composition and quantum effects. United States: N. p., 2014. Web. doi:10.1063/1.4891564.
Asgari, Mehdi, Department of Physical Chemistry, University of Tehran, 14155 Tehran, Negreiros, Fabio R., Sementa, Luca, Barcaro, Giovanni, Fortunelli, Alessandro, E-mail: alessandro.fortunelli@cnr.it, & Behnejad, Hassan. Communication: Striking dependence of diffusion kinetics in Ag–Cu nanoalloys upon composition and quantum effects. United States. doi:10.1063/1.4891564.
Asgari, Mehdi, Department of Physical Chemistry, University of Tehran, 14155 Tehran, Negreiros, Fabio R., Sementa, Luca, Barcaro, Giovanni, Fortunelli, Alessandro, E-mail: alessandro.fortunelli@cnr.it, and Behnejad, Hassan. Mon . "Communication: Striking dependence of diffusion kinetics in Ag–Cu nanoalloys upon composition and quantum effects". United States. doi:10.1063/1.4891564.
@article{osti_22419909,
title = {Communication: Striking dependence of diffusion kinetics in Ag–Cu nanoalloys upon composition and quantum effects},
author = {Asgari, Mehdi and Department of Physical Chemistry, University of Tehran, 14155 Tehran and Negreiros, Fabio R. and Sementa, Luca and Barcaro, Giovanni and Fortunelli, Alessandro, E-mail: alessandro.fortunelli@cnr.it and Behnejad, Hassan},
abstractNote = {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.},
doi = {10.1063/1.4891564},
journal = {Journal of Chemical Physics},
number = 4,
volume = 141,
place = {United States},
year = {Mon Jul 28 00:00:00 EDT 2014},
month = {Mon Jul 28 00:00:00 EDT 2014}
}