Dissociation of H2 on Mg-coated B12C6N6
Ma Li, Jin Xue-Ling, Yang Hui-Hui, Wang Xiao-Xia, Du Ning, Chen Hong-Shan †
       

(color online) Total and partial density of states of the pristine and Mg-coated B12C6N6 cages. The red line denotes the partial density of C 2p and the blue lines refers to Mg 3s3p. The HOMO levels are marked with dash lines