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Study of the Influence of Transition Metal Atoms on Electronic and Magnetic Properties of Graphyne Nanotubes Using Density Functional Theory

โœ Scribed by Alaei, Sholeh; Jalili, Seifollah; Erkoc, Sakir

Book ID
126699144
Publisher
Taylor and Francis Group
Year
2014
Tongue
English
Weight
676 KB
Volume
23
Category
Article
ISSN
1536-383X

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Electronic and magnetic properties of tr
Electronic and magnetic properties of transition metal doped MgO sheet: A density-functional study
โœ Wu, Ping; Cao, Gengyu; Tang, Fuling; Huang, Min ๐Ÿ“‚ Article ๐Ÿ“… 2014 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 999 KB

The stable geometries, electronic and magnetic properties of MgO sheets with Mg atom substituted by 3d transition metals (TM) (Mn, Fe, Co, and Ni) were investigated by First-principles calculations. The atomic structures of Co-and Ni-doped MgO sheets undergo larger distortions than those of Mn-and F