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• W2021097462 abstract "The adsorption energy of atomic Fe on TiN (001) surface was examined by first-principles calculations. The inter-atomic interaction mechanism between TiN crystal and Fe atom was investigated using ab initio molecular dynamics simulation. It was found that the N site is more preferable than Ti and bridge sites for Fe atom. These results may be of importance for further understanding heterogeneous nucleation mechanism." @default.
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• W2021097462 date "2010-01-01" @default.
• W2021097462 modified "2023-10-06" @default.
• W2021097462 title "<I>Ab Initio</I> Molecular Dynamics Study of Fe Adsorption on TiN (001) Surface" @default.
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• W2021097462 doi "https://doi.org/10.2320/matertrans.m2010244" @default.
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