Konu "Density Functional Theory" için Makale Koleksiyonu listeleme
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Electronic and mechanical properties of stiff rhenium carbide monolayers: A first-principles investigation
(Elsevier Science BV, 2018)In this study, we predicted two new stable metallic Re-C based monolayer structures with a rectangular (r-ReC2) and a hexagonal (h-Re2C) crystal symmetry using first-principle calculations based on density functional theory. ...