First-principles study of diffusion and interactions of hydrogen with silicon, phosphorus, and sulfur impurities in nickel (open access)

First-principles study of diffusion and interactions of hydrogen with silicon, phosphorus, and sulfur impurities in nickel

Article systematically studying the effect of Si, P, and S impurities on the diffusion and binding of an H atom in a face-centered-cubic (FCC) Ni lattice using density functional theory (DFT),
Date: March 26, 2019
Creator: Paranjape, Priyanvada; Gopal, Priya & Srinivasan, S. G.
System: The UNT Digital Library