화학공학소재연구정보센터
International Journal of Hydrogen Energy, Vol.26, No.8, 837-842, 2001
Diborane-tetraborane conversion in C-60 vesicles - a theoretical study
Diborane-tetraborane conversion in a C-60 cage is theoretically considered by using AM1-RHF type semiempirical quantum chemical approach. Molecular orbital characteristics of some endohedrally boron hydride doped C-60 composite systems are investigated and the likeliness of diborane-tetraborane conversion in a C-60 vesicle for the purpose of hydrogen storage is discussed.