First-principles investigation of surface properties and adsorption of oxygen on Ni-22Cr and the role of molybdenum

Nickel-based alloys are extensively utilized in high-temperature applications where corrosion resistance and mechanical strength are important. The formation of an oxide-layer on these surfaces is associated with corrosion resistance but the early stages of this process are not well understood and difficult to model. The studies in the available literature are currently limited to introducing an element such as Cr to the top layer of the nickel...