Structures, energetics and magnetic properties of Au<sub>n</sub>SFe<sub>m</sub> and Au<sub>n</sub>Fe<sub>m</sub> clusters for m = 1-5 and n = 1-5, 12 and 32
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چکیده
منابع مشابه
Investigation of structural and electronic properties of small Au n Cu m (n+m≤5) nano-clusters for Oxygen adsorption
In this study, the structures, the IR spectroscopy, and the electronic properties of AunCum (n+m≤5) bimetallic clusters were studied and compared with those of pure gold and copper clusters using the generalized gradient approximation (GGA) and exchange correlation density functional theory (DFT). The study of an O2-AunCum system is important to identify the promotion effects of each of the two...
متن کاملInvestigation of structural and electronic properties of small Au n Cu m (n+m≤5) nano-clusters for Oxygen adsorption
In this study, the structures, the IR spectroscopy, and the electronic properties of AunCum (n+m≤5) bimetallic clusters were studied and compared with those of pure gold and copper clusters using the generalized gradient approximation (GGA) and exchange correlation density functional theory (DFT). The study of an O2-AunCum system is important to identify the promotion effects of each of the two...
متن کاملarchitecture and engineering of nanoscale sculptured thin films and determination of their properties
چکیده ندارد.
15 صفحه اولStructures, energetics, and magnetic properties of NinB clusters with n=1–8,12
We report the results of calculations which were performed to investigate equilibrium structures, electronic and magnetic properties of small NinB clusters with n=1–8,12 within the framework of density functional theory. The calculated results find that doping of boron enhances the binding energy but reduces the magnetic moments of Ni clusters. The boron prefers to maximize the number of Ni–B b...
متن کاملinvestigation of structural and electronic properties of small au n cu m (n+m≤5) nano-clusters for oxygen adsorption
in this study, the structures, the ir spectroscopy, and the electronic properties of auncum (n+m≤5) bimetallic clusters were studied and compared with those of pure gold and copper clusters using the generalized gradient approximation (gga) and exchange correlation density functional theory (dft). the study of an o2-auncum system is important to identify the promotion effects of each of the two...
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ژورنال
عنوان ژورنال: Momona Ethiopian Journal of Science
سال: 2014
ISSN: 2073-073X,2073-073X
DOI: 10.4314/mejs.v6i2.109711