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Published in 2018 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.8b02774
Abstract: We present a theoretical investigation of the prismatic (0110) surface of troilite in an oxidizing environment, which aims to elucidate the presence of oxygen detected experimentally in the pyrrhotite Fe1–xS nanoparticles. We find that atomic…
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Keywords:
oxygen;
surfaces troilite;
oxygen incorporation;
prismatic surfaces ... See more keywords