The Ti2Cu intermetallics compound possessing an ability to release Cu2+ ions has promising antibacterial properties. This research integrates experimental and computational techniques to delve into the interfacial intermetallic (IMC) formation within the Ti6Al4V/Cu system. Heat transfer analysis is performed to numerically outline the thermal history within the microstructure during laser surface alloying (power = 1000 W and scan speed = 200 mm/s), while the phase field method is employed to describe the Ti2Cu IMC grain growth in the Ti6Al4V matrix. As the IMC and the matrix phases respectively have free energy minima of -68.52 and -61.35 kJ/mol at Taverage=1250.0 K, the growth of Ti2Cu IMC grains at the Ti6Al4V matrix located around the depth of 5 μm from the top surface is thermodynamically favorable. Laser processing can cause the nucleation of IMC precipitates of irregular sizes and curvature profiles, in which case the curvature driven effects between the adjacent grains can additionally affect their growth kinetics. Furthermore, microbiological assays underscore the superior antibacterial efficacy of the Ti6Al4V+Ti2Cu heterostructures as compared to the control (Ti6Al4V) counterpart.