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Published in 2018 at "Surface Science"
DOI: 10.1016/j.susc.2018.01.002
Abstract: Abstract The adsorption of H 2 S, HS, S, H and the dissociation of H 2 S on the Ni 2 Pb/Ni (1 1 1) are systematically studied using the first-principles method based on density functional theory.…
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Keywords:
principles study;
surface;
sulfur tolerance;
first principles ... See more keywords