【摘要】 从化学键理论出发，利用键参数函数Φ［（ｚ／ｒｋ）Ｍ，ＸＭ，（ｚ／ｒｋ）Ｃ，ＸＣ］研究了气相条件下金属插入石墨层间形成施主型石墨层间化合物（ＧＩＣ）的规律，包括金属的插入能力、插入剂的价态、电荷转移、一阶ＧＩＣ的结构等。并提出用相对插入指数Ｉ来表征金属元素插入石墨的难易程度，结合键参数图总结了气相条件下施主型ＧＩＣ的形成规律，很好地解释了一些实验事实，还得到了一些尚无实验报道的预期结果。更多还原

【Abstract】 On the basis of the chemical bond theory,the laws of synthesizing donor graphite intercalation compound (GIC) by intercalating metals into graphite under gas phase conditions are studied by choosing a chemical bond parameter function,Φ[(Z/r k),X M,(z/r k) C,X C],,which includes the intercalating capacity of metals,valence state of intercalates,charge transfer and structure of the 1st stage GIC.Meanwhile,a relative index of intercalation (I) is proposed to characterize the probability of intercalating certain metals into graphite.Laws forming of donor GIC under gas phase conditions are summed up by the chemical bond parameter figure and the relative index,and some experimental facts are interpreted fairly well.Moreover,some desired results with no experimental report are described in the paper.更多还原