Modification of Magnetic Properties of Iron Clusters by Doping and Adsorption - From a Few Atoms to Nanoclusters

This brief is based on computations performed on unary neutral and charged iron clusters, binary iron clusters, and iron clusters interacting with carbon and oxygen atoms as well as with a number of diatomics and water. The author considers geometrical structure, thermodynamic stability and electronic properties which are compared with experimental data. Special attention is paid to the dependence of total spin magnetic moments of iron clusters on their size, charge and interactions with dopant and absorbed atoms. In the dopant case, species such as 3d-metal, 4d-metal, Al, and Gd atoms are considered. In the adsorption case interactions of carbon atoms with iron clusters as the initial stage of catalyzed carbon nanotube growth are presented. Interactions of iron clusters with oxygen atoms are presented and the superexchange mechanism is discussed. Of special interest is the tracking of changes due to the evolution from a few atoms to a nanocluster.

Table des matières

Introduction.- Peculiarities of the Fe - Fe bonding.- Oxidesand superhalogens with a single Fe center.- Interactions of small iron clusterswith C and O atoms.- Interactions of small iron clusters with OH, NO, CO, andH2O.- Structure and magnetic properties of larger neutral and charged ironclusters.- Anomalous total spin magnetic moment of Fe EQ O(13,+).- Doping of icosahedral Fe₁₃ with 3d- and4d-atoms.- Doping of iron clusters with a Gd atom.- Ironoxide isomersof (FeO)₁₂ and superexchange mechanism in (FeO)₂.-Interaction of iron clusters with carbon atoms and carbon monoxide.- Summary.

A propos de l'auteur

Dr.Gutsev Gennady is based at Florida A&M University, Department of Physics, Florida, USA.

Résumé

This brief is based on computations performed on unary neutral and charged iron clusters, binary iron clusters, and iron clusters interacting with carbon and oxygen atoms as well as with a number of diatomics and water. The author considers geometrical structure, thermodynamic stability and electronic properties which are compared with experimental data. Special attention is paid to the dependence of total spin magnetic moments of iron clusters on their size, charge and interactions with dopant and absorbed atoms. In the dopant case, species such as 3d-metal, 4d-metal, Al, and Gd atoms are considered. In the adsorption case interactions of carbon atoms with iron clusters as the initial stage of catalyzed carbon nanotube growth are presented. Interactions of iron clusters with oxygen atoms are presented and the superexchange mechanism is discussed. Of special interest is the tracking of changes due to the evolution from a few atoms to a nanocluster.

Détails du produit

• Auteurs: Kalayu Belay, Kalayu G Belay, Kalayu G. Belay, Gennady Gutsev, Gennady L Gutsev, Gennady L. Gutsev, Lavrenty Gutsev, Lavrenty G. Gutsev, Charles Weatherford, Charles A. Weatherford
• Collaboration: Kalay G Belay (Editeur), Kalayu G Belay (Editeur), Lavrenty G Gutsev et al (Editeur)
• Edition: Springer, Berlin
• Langues: Anglais
• Format d'édition: Livre de poche
• Sortie: 01.01.2016
• EAN: 9783319278841
• ISBN: 978-3-31-927884-1
• Pages: 79
• Dimensions: 155 mm x 235 mm x 5 mm
• Poids: 149 g
• Illustrations: V, 79 p. 56 illus.
• Thèmes: SpringerBriefs in Molecular Science; SpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters; SpringerBriefs in Molecular Science; SpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters
• Catégories: Sciences naturelles, médecine, informatique, technique > Chimie > Chimie physique; C, Industrielle Chemie und Chemietechnologie, Chemistry and Materials Science, Chemical Engineering, Industrial Chemistry, Nanotechnology, Physical Chemistry, Quantum & theoretical chemistry, Theoretical and Computational Chemistry, Chemistry, Physical and theoretical, Theoretical Chemistry, Industrial chemistry & chemical engineering, Industrial Chemistry/Chemical Engineering