DFT Global Optimization of Gas-Phase Subnanometer Ru–Pt Clusters
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DOI: 10.1021/acs.jpcc.6b11329
Abstract: The global optimization of subnanometer Ru–Pt binary nanoalloys in the size range 2–8 atoms is systematically investigated using the Birmingham Parallel Genetic Algorithm (BPGA). The effect of size and composition on the structures, stabilities and… read more here.
Keywords: subnanometer; dft global; global optimization; optimization gas ... See more keywords