Geometrical structures and probable dissociation channels of CrPm+ (m=2, 4, 6, 8) clusters
作者： Xiangjun Kuang , Xinqiang Wang , Gaobin Liu
DOI: 10.1016/J.PHYSB.2010.04.073
关键词:
摘要: A density functional theory study on the geometrical structures and probable dissociation channels of CrPm+ (m=2, 4, 6, 8) clusters has been performed. Our results reveal that tetrahedral P4 structure linear P2 are two stable units in relatively. The lowest energy constructed by bonding Cr with unit or unit. bond between is much weaker than P atoms most channel for CrP8+ cluster detachment conclusions consistent previous laser photodissociation experiments.
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