%0 Journal Article %A Wang, Jinlan %A Bai, Jaeil %A Jellinek, Julius %A Zeng, Xiao Cheng %D 2007 %T Gold-Coated Transition-Metal Anion [Mn13@Au20]- with Ultrahigh Magnetic Moment %U https://acs.figshare.com/articles/journal_contribution/Gold_Coated_Transition_Metal_Anion_Mn_sub_13_sub_Au_sub_20_sub_sup_sup_with_Ultrahigh_Magnetic_Moment/3013528 %R 10.1021/ja0664234.s001 %2 https://acs.figshare.com/ndownloader/files/4714840 %K cluster %K gold coating %K Mn %K moment %K Co %K 44 μ B %X Structures and magnetic properties of gold-coated transition-metal clusters [Mn13@Au20]- and [Co13@Au20]- are studied within the framework of gradient-corrected density functional theory. The gold coating can result in either an enhanced or an attenuated effect on the magnetism of the core clusters. For [Mn13@Au20]-, the total magnetic moment is greatly enhanced to as high as 44 μB, more than 20-fold higher than that of the bare Mn13- cluster. For [Co13@Au20]-, however, the gold coating gives rise to an attenuation effect which leads to a reduction of the magnetic moment to 20μB from 30μB of the bare Co13- cluster. %I ACS Publications