Theoretical investigation of manganese adsorption on graphene and graphane: A first-principles comparative study

Within the framework of spin-polarized generalized gradient approximation (σGGA) of the density functional theory (DFT) and pseudopotential method, the structural, magnetic, and electronic properties of graphene and graphane upon the adsorption of manganese atoms have been theoretically investigated...

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Veröffentlicht in:	Physica. B, Condensed matter Condensed matter, 2012-03, Vol.407 (6), p.992-1002
1. Verfasser:	AlZahrani, A.Z.
Format:	Artikel
Sprache:	eng
Schlagworte:	Adsorption Approximation Carbon Condensed matter Condensed matter: electronic structure, electrical, magnetic, and optical properties Condensed matter: structure, mechanical and thermal properties Density functional theory Electronic properties Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures Electronic structure of nanoscale materials : clusters, nanoparticles, nanotubes, and nanocrystals Exact sciences and technology Graphene Manganese Nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals Physics Structure of solids and liquids crystallography
Online-Zugang:	Volltext
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