What is it about?
This is a computational work in which we predict the energy barriers for atomic diffusion and switching in metal nanoparticles constituted by 2 elements (or nanoalloys made of: silver, Ag, and platinum, Pt) and show that they are significant.
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Why is it important?
From the methodological point if view, this is one of the first cases in which the rate at which atoms of different elements move, switch and exchange within a nanometer particle (nanoalloy) were predicted using sophisticated first-principles approaches. The results were also important because it is shown that these movements can be very slow and hinder that the most stable atomic arrangement is reached in excellent agreement with experiment.
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This page is a summary of: Kinetics of chemical ordering in a Ag-Pt nanoalloy particle via first-principles simulations, The Journal of Chemical Physics, November 2012, American Institute of Physics,
DOI: 10.1063/1.4759507.
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