04682nam 22007455 450 991025404880332120200910043553.03-319-27886-X10.1007/978-3-319-27886-5(CKB)3710000000571688(EBL)4307147(SSID)ssj0001596998(PQKBManifestationID)16298231(PQKBTitleCode)TC0001596998(PQKBWorkID)14886209(PQKB)10808055(DE-He213)978-3-319-27886-5(MiAaPQ)EBC4307147(PPN)190882905(EXLCZ)99371000000057168820151231d2016 u| 0engur|n|---|||||txtccrModification of Magnetic Properties of Iron Clusters by Doping and Adsorption From a Few Atoms to Nanoclusters /by Gennady L. Gutsev, Kalayu G. Belay, Lavrenty G. Gutsev, Charles A. Weatherford1st ed. 2016.Cham :Springer International Publishing :Imprint: Springer,2016.1 online resource (85 p.)SpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters,2730-7751Description based upon print version of record.3-319-27884-3 Includes bibliographical references.Introduction -- Peculiarities of the Fe – Fe bonding -- Oxides and superhalogens with a single Fe center -- Interactions of small iron clusters with C and O atoms -- Interactions of small iron clusters with OH, NO, CO, and H2O -- Structure and magnetic properties of larger neutral and charged iron clusters -- Anomalous total spin magnetic moment of Fe EQ \O(13,+) -- Doping of icosahedral Fe13 with 3d- and 4d-atoms -- Doping of iron clusters with a Gd atom -- Iron oxide isomers of (FeO)12 and superexchange mechanism in (FeO)2 -- Interaction of iron clusters with carbon atoms and carbon monoxide -- Summary.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.SpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters,2730-7751Physical chemistryNanotechnologyChemistry, Physical and theoreticalChemical engineeringPhysical Chemistryhttps://scigraph.springernature.com/ontologies/product-market-codes/C21001Nanotechnologyhttps://scigraph.springernature.com/ontologies/product-market-codes/Z14000Theoretical and Computational Chemistryhttps://scigraph.springernature.com/ontologies/product-market-codes/C25007Industrial Chemistry/Chemical Engineeringhttps://scigraph.springernature.com/ontologies/product-market-codes/C27000Physical chemistry.Nanotechnology.Chemistry, Physical and theoretical.Chemical engineering.Physical Chemistry.Nanotechnology.Theoretical and Computational Chemistry.Industrial Chemistry/Chemical Engineering.553.3Gutsev Gennady Lauthttp://id.loc.gov/vocabulary/relators/aut1061401Belay Kalayu Gauthttp://id.loc.gov/vocabulary/relators/autGutsev Lavrenty Gauthttp://id.loc.gov/vocabulary/relators/autWeatherford Charles Aauthttp://id.loc.gov/vocabulary/relators/autMiAaPQMiAaPQMiAaPQBOOK9910254048803321Modification of Magnetic Properties of Iron Clusters by Doping and Adsorption2518736UNINA