Abstract: Based on the first principle method, an ideal TiAlN/WC interface and interface models of different atoms x（x=Al, Cr, Ti, Ta, Co） were established, the adhesion work and doping defect formation energy were calculated. The electronic structure and density of states of the doped Al and Ta atoms were furtherly analyzed from the viewpoint of charge density distribution and bonding.The results show that after doping of Al and Co atoms, the adhesion work increases and the interface bonding properties improves. When Ti, Ta and Cr atoms are doped, the adhesion work is lowered and the interface bonding properties decreases. Among them, the doped Al atom has the largest interfacial adhesion and the best interface bonding properties,while the doped Ta atom has the least interfacial adhesion and the worst interface bonding properties. The interface structure of the doped Al atom is the most easily formed, and the doping structure doped with Co atom is the most difficult to form. The interface between the Al and Ta atoms is found to be bonded by metal, covalent and ionic bond. Compared with the ideal interface bond, the charge is redistributed after doping the Al atom, the charge differential density is increased and the interface bonds are enhanced. After doping with Ta atoms, the charge differential density is small and the interface bonds are weakened.