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Studies from Aarhus University Yield New Data on Algorithms [Investigating energetics of Au-8 on graphene/Ru(0001) using a genetic algorithm and...

September 9, 2014



Studies from Aarhus University Yield New Data on Algorithms [Investigating energetics of Au-8 on graphene/Ru(0001) using a genetic algorithm and density functional theory]

By a News Reporter-Staff News Editor at Journal of Mathematics -- Current study results on Algorithms have been published. According to news reporting out of Aarhus, Denmark, by VerticalNews editors, research stated, "Gold nanoparticles have been extensively studied for their catalytic activity both theoretically and experimentally. The moire pattern formed by graphene supported on single crystal substrates creates a useful environment where the properties of Au nanoclusters can be studied, provided the structure and evolution of these clusters can be controlled."

Our news journalists obtained a quote from the research from Aarhus University, "We used a genetic algorithm combined with DFT calculations to predict the lowest energy structures of a Au-8 cluster on graphene/Ru(0001). The most stable cluster forms a double-layer Au wall structure for Au-8 in the fcc region of the moire pattern, where the Au-8 cluster is most strongly adsorbed. Further calculations give estimates for the net diffusion barrier of Au-8 as an intact cluster on the surface."

According to the news editors, the research concluded: "Our results are consistent with the Au island structure experimentally observed on graphene/Ru(0001), and support the hypothesis that Au clusters aggregate through Oswald ripening with Au dimers being the most important diffusing species."

For more information on this research see: Investigating energetics of Au-8 on graphene/Ru(0001) using a genetic algorithm and density functional theory. Surface Science, 2014;628():98-103. Surface Science can be contacted at: Elsevier Science Bv, PO Box 211, 1000 Ae Amsterdam, Netherlands. (Elsevier - www.elsevier.com; Surface Science - www.elsevier.com/wps/product/cws_home/505676)

Our news journalists report that additional information may be obtained by contacting D. Teng, Aarhus University, Dept. of Phys & Astron, DK-8000 Aarhus C, Denmark. Additional authors for this research include L.B. Vilhelmsen and D.S. Sholl.

Keywords for this news article include: Aarhus, Denmark, Europe, Algorithms, Genetics

Our reports deliver fact-based news of research and discoveries from around the world. Copyright 2014, NewsRx LLC


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Source: Journal of Mathematics


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