By a News Reporter-Staff News Editor at Life Science Weekly -- New research on Chalcogens is the subject of a report. According to news reporting originating from Northridge, California, by NewsRx correspondents, research stated, "A computational strategy to design core/shell nanoparticle catalysts for oxygen reduction reactions (ORRs) is proposed based on multiscale modeling. Using a quantum mechanics/molecular mechanics (QM/MM) coupling method, we have studied the ORR on Pt-Cu core/shell nanoparticles with the size ranging from 3 to 8 nm."
Our news editors obtained a quote from the research from California State University, "We have calculated the oxygen adsorption energy on the nanoparticle surface (a descriptor for ORR activity) as a function of the nanoparticle size and thickness of the Pt shell. We find that the Pt-Cu core/shell nanoparticles exhibit higher ORR activities than flat Pt(iii) surfaces, consistent with experimental observations. We predict that the diameter of the core/shell nanoparticles should be larger than 7 nm to reach the peak of ORR activities. By examining the effects of ligand, quantum confinement, and surface strain, we confirm that the strain plays the dominant role on ORR activities for the core/shell nanoparticles."
According to the news editors, the research concluded: "A universal relation between the surface strain and the oxygen adsorption energy is established based on which one can computationally screen and design core/shell nanoparticle catalysts for superior ORR activities."
For more information on this research see: Computational Design of Core/Shell Nanoparticles for Oxygen Reduction Reactions. Journal of Physical Chemistry Letters, 2014;5(2):292-297. Journal of Physical Chemistry Letters can be contacted at: Amer Chemical Soc, 1155 16TH St, NW, Washington, DC 20036, USA. (American Chemical Society - www.acs.org; Journal of Physical Chemistry Letters - www.pubs.acs.org/journal/jpclcd)
The news editors report that additional information may be obtained by contacting X. Zhang, Calif State Univ Northridge, Dept. of Phys & Astron, Northridge, CA 91330, United States (see also Chalcogens).
Keywords for this news article include: Northridge, California, Chalcogens, Nanoparticle, United States, Nanotechnology, Emerging Technologies, North and Central America
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