Endohedral Metallofullerenes – Novel Materials for Nanoelectronics

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Insights from Density Functional Theory Modeling

ISBN: 383836225X
ISBN 13: 9783838362250
Autor: Kaliappan, Muthukumar/Andreas Larsson, J
Verlag: LAP LAMBERT Academic Publishing
Umfang: 140 S.
Erscheinungsdatum: 22.10.2010
Auflage: 1/2010
Format: 0.9 x 22 x 15
Gewicht: 227 g
Produktform: Kartoniert
Einband: KT
Artikelnummer: 4737634 Kategorie:

Beschreibung

Fullerenes, hollow carbon cages on the order of 1 nm in diameter, are future building blocks in many areas of applied and fundamental nanoscience. Fullerenes show potential for applications in nanotechnology due to the possibility of tuning their properties by doping and/or functionlization. In particular, the endohedral doping of the hollow carbon cage with metal atoms and clusters allows changing of the electronic and magnetic properties of the molecule without significant distortion of the geometry of the outer shell. Despite their outstanding applications in technology and in bio-medical sciences the limited availability of endohedral metallofullerenes has hindered studies that describe their electronic and structural properties, the knowledge of which are essential prerequisites for many nanotechnological applications. In this book, we present our results on the characterization (structural, electronic and vibrational) of cerium endohedral fullerenes and provide precious clues about the formation mechanism of these species at the nanoscale.

Autorenporträt

Muthukumar Kaliappan obtained his Ph.D. in computational chemistry under the supervision of Dr. J. Andreas Larsson, from Tyndall national institute, UCC, Cork, Ireland in 2009. Both of their research interest involves theoretical characterization of novel nanomaterials, emphasizing their application towards molecular electronics.

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