非过渡金属碳化物内嵌富勒烯的结构与性质.pfg.pdf

clusterfullerenes． to metal clustersaretransitionmetalmoms．The Up now,encapsulated ofanewendohedralfullerene、)l，itlla aluminum carbide possibility trapped cluster, theoretical andelectronic AhC@C80-lh，wasinvestigated．Thegeometries properties ofitwere functionalmethods．Theunit investigatedusingdensity theory