Adsorption of atmospheric gases on cementite 010 surfaces
نویسندگان
چکیده
منابع مشابه
Competing reactions of selected atmospheric gases on Fe3O4 nanoparticles surfaces.
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We report results of gradient-corrected pseudopotential-based density functional theory calculations on bulk Fe3C in the cementite structure and its (0 0 1), (1 1 0), (0 1 1), (1 0 0), (1 0 1), (0 1 0), and (1 1 1) surfaces. Bulk properties are in reasonable agreement with available experimental data. The cementite local density of states shows predominantly metallic character, along with some ...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2017
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.4984036