ИСТИНА

For better fusion of implants with the bone, they are often coated with bioactive materials. The most often used are calcium phosphates, in particular, tricalcium phosphate (TCP) Ca3(PO4)2. The literature describes cases of delamination along the implant-coating interface [1], therefore it is important to ensure good adhesion of the coating to titanium. The adhesion strength is determined by the binding energy of the coating to the substrate. Since the titanium surface is usually oxidized, the aim of this work was to calculate the 3D structure, formation energy, and other characteristics of the reaction of the interaction of a titanium dioxide TiO2 molecule (implant) with a tricalcium phosphate molecule (coating) at the nano level from the first principles.