▎ 摘　　要

We reported an experimental and theoretical study on the promotion role of F doping in the improved catalytic performance of fluorinated graphene(F-GO) for ammonium perchlorate (AP) pyrolysis. F-GO was prepared by using graphite oxide (GO) as carbon sources and CF3COOH as fluorinating agent. Compared with other samples, the F-GO-180 with the highest F doping amounts, more C-F semi-ionic and C-F covalent bond amounts exhibit superior catalytic performance, as 10 wt% of catalyst added in AP, the exothermic peak temperature proceeded in just one step was even lower than the HTD peak temperature for pure AP and the released apparent specific heat of the thermal decomposition of AP catalyzed by F-GO-180 is 4261.2 J/g, which is almost sevenfold of that of pure AP (603.5 J/g). The doping of F atoms in graphene increased surface defects and the content of C-F semi-ionic and C-F covalent bond amounts of F-GO, which provided more active sites during the thermal decomposition of AP. The molecular simulation calculation results further confirmed that the F doping could react with the defect structure of graphene to form more C-F semi-ionic and C-F covalent bond, which could act as catalytic active sites and facilitate the electron transfer ability of the graphene to promote the formation of free radicals in the reaction.