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 hydrogenated TimZrn (n + m ≤ 5) clusters. The big gray balls, big blue balls, and small gray balls represent Ti, Zr, and H atoms, respectively. |
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