The uncracked porous silicon (PS) membrane which was fabricated by electrochemical etching technic was used to create nanoenergetic materials (nEMs) in experiments. The average diameter of pores was 4.3 nm, and the thickness of PS membrane was over 100 μm. The surface of PS membrane was modified by suitable coupling agents (KH550, KH560 and KH570). The infra-red spectrum (IR spectrum) of samples was tested by FTIR technology. The experimental results show that the coupling agents can remove the handing bonds on the surface of PS membrane by translating unstable bond of Si—H to much more stable chemical bond Si—OR. And KH550 and KH570 were more suitable to remove the handing bonds than KH560.