In this study, oxygen and fluorine functional groups have been introduced to the surface of the material in order to improve the selective gas adsorption properties of ACFs. Plasma treatment and direct fluorination treatment were performed to introduce oxygen and fluorine functional groups. At this time, the adsorbate was selected as acetic acid, acetaldehyde, and formaldehyde gas among the volatile organic compounds that cause sick house syndrome. Up to 24.91% fluorine was introduced on the surface of ACFs through direct fluorination. In addition, fluorine up to 18.34% through fluorine plasma treatment and oxygen plasma treatment introduced oxygen up to 35.87% on the surface of ACFs. Various oxygen and fluorine functional groups introduced through each treatment method, the interaction with each adsorbate was examined. First, it was confirmed that oxygen and fluorine functional groups induce interactions such as hydrogen bond to improve the adsorption performance of ACFs for acetic acid gas. In particular, covalent C-F bond is considered to be a major factor affecting acetic acid adsorption performance. Secondly, oxygen functional groups such as C?O have been found to induce an electrical repulsive force to lower the adsorption performance of acetaldehyde gas of activated carbon fibers. On the other hand, semi-covalent C-F bond was implied to induce strong hydrogen bond to improve acetaldehyde adsorption performance. Finally, oxygen and fluorine functional groups were found to not make a significant contribution to the improvement of formaldehyde adsorption performance. Pore properties such as specific surface area and micropores, rather than the role of surface functional groups, are confirmed to affect the formaldehyde adsorption performance.