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).

Zhang Ge, Sheng Yong
       

(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.