Density functional study on the bimetallic TimZrn (n + m ≤ 5) clusters and their interactions with H2 Project supported by the Scientific Research Plan Foundation of Sichuan Education Department of China (Grant No. 2014JY0072). |
(color online) Equilibrium structures, spin multiplicities, and point group symmetries of the TimZrn (n + m ≤ 5) clusters. The gray balls and blue balls represent Ti and Zr atoms, respectively. |
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