The alloy Au–Ag system is an important noble bimetallic phase, both historically (as “Electrum”) and now especially in nanotechnology, as it applied catalysis nanomedicine. To comprehend the structural characteristics thermodynamic stability of this alloy, a knowledge its phase diagram required that considers explicitly size shape (morphology) dependence. However, experimental determination remains quite challenging at nanoscale, theoretical guidance can provide significant advantages. Using...

We report on energetic surface reconstruction phenomena observed bimetallic nanoparticle systems of AuPd and AuCu, similar to a resolidification effect during the cooling process in lead clusters. These binary alloy nanoparticles show fivefold edges truncated, resulting [100] facets decahedral structures, an largely envisioned reported theoretically, with no experimental evidence so far. demonstrate experimentally as well by computational simulations that this new eutectic structure is...

In this work, we characterize AuCuNiPd decahedral nanoparticles using advanced electron microscopy and computational techniques. Additionally, introduce a novel method for analyzing asymmetrical HOLZ patterns, enabling highly precise lattice spacing determinations. By combining convergent beam diffraction (CBED) imaging with molecular dynamics simulations, gain valuable insights into the structural properties of these nanoparticles. Our results reveal globally distorted FCC lattice, best...

Several series of molecular dynamics runs were performed to simulate the melting transition bimetallic cuboctahedral nanoparticles gold−palladium at different relative concentrations study their structural properties before, in, and after transition. The simulations made in canonical ensemble, each covering a range temperatures from 300 980 K, using Rafii−Tabar version Sutton Chen interatomic potential for metallic alloys. We found that temperature has strong dependence on atomic species....

We have calculated the average magnetic moments per atom $\overline{\ensuremath{\mu}}$ of nickel clusters $({\mathrm{Ni}}_{N})$ as a function cluster size in range $5<~N<~60$. The geometries been taken from molecular-dynamics simulations with semiempirical many-body potential for $N<~20$, and $N>20$ same was used steepest-descent relaxation icosahedral structures. spin-polarized electronic structure has those optimized self-consistent tight-binding method considering $3d$, $4s$, $4p$ valence...

Silver tetrahedral nanoparticles (NP) were synthesized using the inert gas condensation technique. We performed morphological and optical characterization of (NPs) atomic force microscopy (AFM), mass spectroscopy (MS), UV−visible spectroscopy. The Ag NPs produced by modified magnetron sputtering, followed thermalization in a high pressure zone. Along synthesis process, size was controlled through handling flow (Ar He), power, length aggregation optimized parameters to obtain peak on...

Given the binary nature of nanoalloy systems, their properties are dependent on size, shape, structure, composition, and chemical ordering. When energy entropic factors for shapes structure variations considered in nanoparticle growth, spectra become so vast that even metastable arrangements have been reported under ambient conditions. Experimental theoretical multiply twinned particles observed, from Ino Marks decahedra to polyicosahedra polydecahedra with comparable energetic stability...

A study of ordering and segregation in bimetallic clusters has been carried out using the embedded-atom method. Icosahedral cuboctahedral with up to 147 atoms have considered. The model applied Cu-Ni Cu-Pd systems we found that icosahedral structure is favored over one. Cu segregates surface clusters, a subtle interplay between observed clusters.

The embedded-atom method is used to study icosahedral ${\mathrm{Ni}}_{\mathit{N}}$ clusters in the size range from 13 147 atoms. Two mutually exclusive structures, corresponding different ways of covering underlying core, are considered and more favorable them determined for each cluster size. A transition polyicosahedral multilayered structure found very good agreement with chemical probe experiments. Enhanced stability after completion certain caps (umbrellas) accordance near-threshold...

Abstract A natural and biocompatible extract of garlic as a support, decorated with silver nanoparticles, is proposal to generate an effective antifungal agent against dermatophytes at low concentrations. Silver nanoparticles (AgNPs) diameter 26±7 nm were synthesized their antimycotic activity was examined Trichophyton rubrum ( T. ), inhibiting 94 % growth concentration 0.08 mg ml −1 . Allium sativum (garlic) also obtained As Ext), its MIC 0.04 To increase the capacity those systems, Ext...

We study the assembling of small gold clusters subject to collisions and close contact coalescence by using molecular dynamics simulations simulate events that occur typically in sputtering process synthesis. Our results support notion kinetics processes strongly determine geometry structure final particle. While impact velocities, relative orientations, initial shape interacting particles are unlikely strictly structural details newly formed particle, we found high temperatures and/or...

We present a systematic study of the structural changes 19-atom PdnPt19-n nanoparticles as function composition, modeling interatomic interactions with many-body Gupta potential and using genetic algorithm to obtain lowest energy structures for all possible compositions. Topological analysis reveals that most are based on icosahedral packings strongly composition dependent. The pure Pd19 nanoparticle exhibits double geometry, while Ino decahedron is basis Pt19 cluster structure, which has...

Binary AuPd nanoparticles in the 1–2 nm size range have been imaged by high-resolution electron microscopy (HREM). A dodecahedral atomic growth pattern is identified round-shaped particles (such a dodecahedron shown as ball model (left) and simulated microscope image (right)), which make up 85 % of total product. The results demonstrate first experimental evidence this Platonic form for metallic size. stability such structures has validated through theoretical calculations.

The structural and magnetic properties of free-standing ${\mathrm{Co}}_{n}{\mathrm{Rh}}_{m}$ clusters ($N=n+m\ensuremath{\approx}110$ $n\ensuremath{\approx}m$) three different symmetries---cubo-octahedral, icosahedral, hcp---were investigated in two chemical orders: segregated alternated layering alloyed. initial geometrical structures constructed at bulk distances were relaxed with a many-body Gupta potential to obtain the cluster geometries energies. We find that lowest energy all cases...