The present disclosure discloses an organic light emitting diode package structure and its method of manufacturing, and a display device. The method of manufacturing includes: preparing an inorganic substrate comprising a hydroxyl group; preparing a first atomic transition layer on the inorganic substrate; coating a first organic layer on the first atomic transition layer, the first organic layer is formed by mixing two epoxy resin monomers; and curing the first organic layer so that the first organic layer is chemically bonded to the inorganic substrate through the first atomic transition layer. In the above manner, the present disclosure can increase the adhesion between the organic layer and the inorganic layer and prevent the display device from package failure caused by peeling between the package layers during bending or folding.