Cr-surface segregation is a main roadblock encumbering many magneto-biomedical applications of bimetallic M-Cr nanoalloys (where M = Fe, Co and Ni). To overcome this problem, we developed Ni95Cr5:Ag nanocomposite as a model system, consisting of non-interacting Ni95Cr5 nanoalloys (5 ± 1 nm) immersed in non-magnetic Ag matrix by controlled simultaneous co-sputtering of Ni95Cr5 and Ag. We employe...

NiCo nanoalloy (4-6 nm) encapsulated in grapheme layers (NiCo@G) has been prepared by thermolysis of a 3D bimetallic complex CoCo[Ni(EDTA)]2·4H2O and successfully employed as a catalyst to improve the dehydrogenation performances of LiAlH4 by solid ball-milling. NiCo@G presents a superior catalytic effect on the dehydrogenation of LiAlH4. For LiAlH4 doped with 1 wt% NiCo@G (LiAlH4-1 wt% NiCo@G)...

Alloy Pt–M (M = Co, Ni) nanocatalysts, supported on carbon Vulcan XC-72, were synthesized using the carbonyl chemical route. A high dispersion on such substrate was revealed by transmission electron microscopy (TEM). Alloy formation on the nanometre scale length was shown by high-resolution transmission microscopy (HRTEM) and energy dispersive X-ray spectroscopy (EDX) on a nanoparticle. The met...

The ability to tune the atomic-scale structural and chemical ordering in nanoalloy catalysts is essential for achieving the ultimate goal of high activity and stability of catalyst by design. This article demonstrates this ability with a ternary nanoalloy of platinum with vanadium and cobalt for oxygen reduction reaction in fuel cells. The strategy is to enable nanoscale alloying and structural...

We present a systematic study on the adsorption properties of molecular oxygen on Pt, Ni and PtNi clusters previously deposited on MgO(100) by means of density functional theory calculations. We map the different adsorption sites for a variety of cluster geometries, including icosahedra, decahedra, truncated octahedra and cuboctahedra, in the size range between 25–58 atoms. The average adsorpti...

A genetic algorithm has been developed in order to find the global minimum of platinum-palladium nanoalloy clusters. The effect of biasing the initial population and predating specific clusters has been investigated.

Abstract The structural stability of nanoalloys is a challenging research subject due to the complexity size, shape, composition, and chemical ordering. genetic algorithm popular global optimization method that can efficiently search for ground-state nanoalloy structure. However, suffers from three significant limitations: efficiency accuracy energy evaluator algorithm’s efficiency. Here we des...