Because of both ozone gas and ozone solution are instable which limits the application of ozone, to solve the storage problem, it is necessary to find a kind of ideal ozone carrier which can combine ozone as an “ozonic compound” in which the bond strength between ozone and carrier should not be too high or too low, to appropriately release ozone from the ozonic compound. Combining Criegee’s three-step reaction mechanism of ozone and olefins, the charge, covalent bond levels and energy levels of ozone, ethylene, butadiene and their ozonic compounds were calculated by the first-principles calculation method based on density functional theory methods. The stability of the ozonide, or the bond strength between ozone and ions of carrier were controlled felicitously to release ozone from the ozonide with proper velocity. Ozone antimicrobial was composed on the above principle. It can be used conveniently, especially for common families.