Abstract: We studied the adsorption of three groups of H,O and F on the surface of Ti₃C₂, the electronic properties and quantum capacita
nce of the adsorbed structure were calculated by density functional theory simulation. The results show that the best adsorption
 site is directly above the center of three adjacent carbon atoms, the electronic structure of Ti₃C₂ can be modulated by the adsorption of the groups. The quantum capacitance enhancement effect of adsorbing H group on Ti₃C₂ surface is the best, and it has higher charge accumulation ability under negative bias voltage.

Key words: electronic structure, quantum capacitance, density functional theory