Initial-Stage Oxidation of Ni3Al(100) and -(110) from Ab Initio Thermodynamics
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.7b04674
Abstract: The microscopic mechanisms of the initial-stage oxidation of the Ni3Al(100) and Ni3Al(110) surfaces are comparatively studied using ab initio calculations based on density-functional theory and thermodynamics considerations. The surface energies of the two surfaces as… read more here.
Keywords: ni3al 100; initial stage; stage oxidation; thermodynamics ... See more keywords