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) HOMO and LUMO distributions of the TimZrnH2 (n + m = 4) clusters.