Surface phase diagrams of titanium in Oxygen, Nitrogen and Hydrogen environments: A first principles analysis
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DOI: 10.1016/j.susc.2018.05.007
Abstract: Abstract Density functional theory and ab initio thermodynamics studies are performed to investigate the interaction of oxygen, nitrogen and hydrogen molecules with hexagonal close packed Ti (0001) surfaces. The system is modeled as a slab… read more here.
Keywords: surface; oxygen nitrogen; nitrogen hydrogen; hydrogen ... See more keywords