Jump to main content
Jump to site search

Themed collection Recent advances in the chemical physics of nanoalloys

54 items
Editorial

Recent advances in the chemical physics of nanoalloys

Nanoalloys present a rich variety of structures and properties, which depend on both size and composition, and make them suitable for applications in catalysis, plasmonics, magnetic data storage, and biomedicine.

Graphical abstract: Recent advances in the chemical physics of nanoalloys
Perspective

Intrinsic magnetic properties of bimetallic nanoparticles elaborated by cluster beam deposition

Chemical order effects and intrinsic magnetic properties of well-defined bimetallic L10 CoPt-type, B2 FeRh-type and core/shell CoAu-type nanoalloys.

Graphical abstract: Intrinsic magnetic properties of bimetallic nanoparticles elaborated by cluster beam deposition
Perspective

Nanosystems: the use of nanoalloys, metallic, bimetallic, and magnetic nanoparticles in biomedical applications

There is a growing interest in the use of nanosystems in biomedical applications. In this perspective, we survey current applications and advances in magnetic nanoparticles used in biomedical applications, so as to understand the material properties that can pave the way for the use of nanoalloys.

Graphical abstract: Nanosystems: the use of nanoalloys, metallic, bimetallic, and magnetic nanoparticles in biomedical applications
Perspective

Magnetic and noble metal nanocomposites for separation and optical detection of biological species

Nanoalloys and nanocomposites are widely studied classes of nanomaterials within the context of biological systems. This article presents an overview of methods currently used for nanoalloy and nanocomposite synthesis and characterization, focusing on Au-Ag and FexOy@Au structures as primary components in detection platforms for plasmonic and magnetically enabled plasmonic bio-sensing.

Graphical abstract: Magnetic and noble metal nanocomposites for separation and optical detection of biological species
Perspective

Segregation in bimetallic nanoparticles

Theoretical models and experimental results for segregation in bimetallic nanoparticles are discussed and compared in this perspective.

Graphical abstract: Segregation in bimetallic nanoparticles
Perspective

Optical properties of nanoalloys

Optical absorption spectra of bare (left) and monolayer-protected (right) metal nanoalloys.

Graphical abstract: Optical properties of nanoalloys
Perspective

Thermodynamics of nanoalloys

Nanoalloys exhibit composition- and size-dependent shapes that are influenced by temperature at equilibrium.

Graphical abstract: Thermodynamics of nanoalloys
Paper

Chemical ordering phenomena in nanostructured FePt: Monte Carlo simulations

Selective surface-induced destabilization of L10 superstructure variants is simulated in FePt nanostructures of diverse dimensionalities.

Graphical abstract: Chemical ordering phenomena in nanostructured FePt: Monte Carlo simulations
Paper

Synthesis and thermodynamics of Ag–Cu nanoparticles

A melting temperature depression of around 14 °C for Ag–Cu nanoparticles synthesized by a chemical reduction method has been experimentally measured by differential scanning calorimetry (DSC).

Graphical abstract: Synthesis and thermodynamics of Ag–Cu nanoparticles
Open Access Paper

Orbit and spin resolved magnetic properties of size selected [ConRh]+ and [ConAu]+ nanoalloy clusters

XMCD measurements on doped Co clusters in the gas phase reveal their fluctuating spin and orbital magnetic moments.

Graphical abstract: Orbit and spin resolved magnetic properties of size selected [ConRh]+ and [ConAu]+ nanoalloy clusters
Paper

Surface plasmons in quantum-sized noble-metal clusters: TDDFT quantum calculations and the classical picture of charge oscillations

The dynamics of the electronic density corresponds to a collective charge oscillation, albeit influenced by the inhomogeneity of noble metals.

Graphical abstract: Surface plasmons in quantum-sized noble-metal clusters: TDDFT quantum calculations and the classical picture of charge oscillations
Paper

Phase diagrams of nanoalloys: influence of size and morphology

A non-monotonous variation of the critical temperature as a function of the length of the nanotubes.

Graphical abstract: Phase diagrams of nanoalloys: influence of size and morphology
Paper

Platinum–ruthenium bimetallic clusters on graphite: a comparison of vapor deposition and electroless deposition methods

A comparison of bimetallic Pt–Ru clusters grown by vapor deposition (VD) and electroless deposition (ED) of Pt on Ru seed clusters.

Graphical abstract: Platinum–ruthenium bimetallic clusters on graphite: a comparison of vapor deposition and electroless deposition methods
Paper

Multiscale approach for studying melting transitions in CuPt nanoparticles

Melting temperature dependence on the radius of CuPt clusters by CALPHAD and atomistic molecular dynamics simulations. The formation of a supercooled region for 3 nm particle is highlighted by the huge hysteresis during the freezing process.

Graphical abstract: Multiscale approach for studying melting transitions in CuPt nanoparticles
Open Access Paper

Quasi-combinatorial energy landscapes for nanoalloy structure optimisation

Nanoalloy energy landscapes explored in continuous and discrete metric spaces simultaneously.

Graphical abstract: Quasi-combinatorial energy landscapes for nanoalloy structure optimisation
Paper

New insights into the mixing of gold and copper in a nanoparticle from a structural study of Au–Cu nanoalloys synthesized via a wet chemistry method and pulsed laser deposition

Insights into the mixing of gold and copper atoms at the nanoscale for the controlled synthesis of Au–Cu nanoalloys.

Graphical abstract: New insights into the mixing of gold and copper in a nanoparticle from a structural study of Au–Cu nanoalloys synthesized via a wet chemistry method and pulsed laser deposition
Paper

Theoretical study of the structures and chemical ordering of cobalt–palladium nanoclusters

Global optimization of 1 : 1 compositions of (Co–Pd)N/2 up to N = 150 and all compositions of 34- and 38-atom binary clusters has been performed using a genetic algorithm, coupled with the Gupta empirical potential to model interatomic interactions.

Graphical abstract: Theoretical study of the structures and chemical ordering of cobalt–palladium nanoclusters
Paper

Heat-induced spinodal decomposition of Ag–Cu nanoparticles

The predicted spinodal decomposition of metastable Ag–Cu nanoparticles was experimentally induced (and detected) by heating on an high temperature X-ray diffractometer (HT XRD).

Graphical abstract: Heat-induced spinodal decomposition of Ag–Cu nanoparticles
Paper

Challenges of modelling real nanoparticles: Ni@Pt electrocatalysts for the oxygen reduction reaction

Core–shell nanoparticle properties strongly dependent on cluster size and composition.

Graphical abstract: Challenges of modelling real nanoparticles: Ni@Pt electrocatalysts for the oxygen reduction reaction
Paper

A correlation between thermodynamic properties, thermal expansion and electrical resistivity of Ag–28% Cu nanopowders processed by the mechanical alloying route

The relative electrical resistivity, Gibbs free energy function and crystallite size of the Ag–28% Cu nanopowders as a function of temperature.

Graphical abstract: A correlation between thermodynamic properties, thermal expansion and electrical resistivity of Ag–28% Cu nanopowders processed by the mechanical alloying route
Paper

Revealing chemical ordering in Pt–Co nanoparticles using electronic structure calculations and X-ray photoelectron spectroscopy

PtYCo1−Y-core@Co-rich-subsurface@Pt-shell structure is identified in several nm large Pt–Co particles using X-ray photoelectron spectroscopy and an optimization method based on density-functional calculations.

Graphical abstract: Revealing chemical ordering in Pt–Co nanoparticles using electronic structure calculations and X-ray photoelectron spectroscopy
Open Access Paper

A DFT-based genetic algorithm search for AuCu nanoalloy electrocatalysts for CO2 reduction

The global minimum for a 309-atom icosahedral Au–Cu nanoalloy is identified, with potential application for electrochemical production of CO.

Graphical abstract: A DFT-based genetic algorithm search for AuCu nanoalloy electrocatalysts for CO2 reduction
Paper

Au–Ag nanoalloy molecule-like clusters for enhanced quantum efficiency emission of Er3+ ions in silica

(Au–Ag)N nanoalloy clusters made up of N = 10–15 atoms increase by an order of magnitude the room temperature photoemission intensity of Er3+ in silica, better than monometallic AuN clusters of the same size.

Graphical abstract: Au–Ag nanoalloy molecule-like clusters for enhanced quantum efficiency emission of Er3+ ions in silica
Open Access Paper

Doped golden fullerene cages

A first-principles investigation of the effect of the doping of golden cages of 32 atoms is proposed.

Graphical abstract: Doped golden fullerene cages
Paper

Self-diffusion in nanocrystalline alloys

Operando PXRD shows slow diffusion kinetics of controllable, reversible segregation in a PdAg nanoalloy that is explained by atomistic modeling.

Graphical abstract: Self-diffusion in nanocrystalline alloys
Paper

Evolution of structure and local magnetic fields during crystallization of HITPERM glassy alloys studied by in situ diffraction and nuclear forward scattering of synchrotron radiation

In situ transformation of local structure and hyperfine interactions are simultaneously followed in real time during temperature annealing of metallic glasses.

Graphical abstract: Evolution of structure and local magnetic fields during crystallization of HITPERM glassy alloys studied by in situ diffraction and nuclear forward scattering of synchrotron radiation
Paper

Structural evolution of Ag–Cu nano-alloys confined between AlN nano-layers upon fast heating

The paper presents a first comprehensive experimental investigation of the structural evolution of eutectic Ag–Cu nano-alloys, as confined between inert AlN barriers in a nano-multilayered configuration, upon fast heating.

Graphical abstract: Structural evolution of Ag–Cu nano-alloys confined between AlN nano-layers upon fast heating
Paper

Ageing of out-of-equilibrium nanoalloys by a kinetic mean-field approach

Ageing of nanoalloys: the nanoparticle passes through a metastable onion-like configuration on its way to its equilibrium core–shell structure.

Graphical abstract: Ageing of out-of-equilibrium nanoalloys by a kinetic mean-field approach
Open Access Paper

Thermally-induced chemical-order transitions in medium–large alloy nanoparticles predicted using a coarse-grained layer model

A new coarse-grained layer model (CGLM) predicts symmetry-breaking transitions in Pt–Ir nanoparticles furnishing a unique nanophase diagram.

Graphical abstract: Thermally-induced chemical-order transitions in medium–large alloy nanoparticles predicted using a coarse-grained layer model
Open Access Paper

AuRu/AC as an effective catalyst for hydrogenation reactions

AuRu bimetallic catalysts have been prepared by sequential deposition of Au on Ru or vice versa obtaining different nanostructures: when Ru has been deposited on Au, a Aucore–Rushell has been observed, whereas the deposition of Au on Ru leads to a bimetallic phase with Ru enrichment on the surface.

Graphical abstract: AuRu/AC as an effective catalyst for hydrogenation reactions
Paper

Structural evolution of an intermetallic Pd–Zn catalyst selective for propane dehydrogenation

Formation of PdZn intermetallic nanoalloys selective for propane dehydrogenation tracked using in situ synchrotron XRD.

Graphical abstract: Structural evolution of an intermetallic Pd–Zn catalyst selective for propane dehydrogenation
Paper

CO oxidation catalysed by Pd-based bimetallic nanoalloys

Density functional theory based global geometry optimization has been used to demonstrate the crucial influence of the geometry of the catalytic cluster on the energy barriers for the CO oxidation reaction over Pd-based bimetallic nanoalloys.

Graphical abstract: CO oxidation catalysed by Pd-based bimetallic nanoalloys
Open Access Paper

Role of the nanocrystallinity on the chemical ordering of CoxPt100−x nanocrystals synthesized by wet chemistry

In situ heating TEM reveals the influence of the nanocrystallinity on the ordering transition of CoPt nanoalloys.

Graphical abstract: Role of the nanocrystallinity on the chemical ordering of CoxPt100−x nanocrystals synthesized by wet chemistry
Open Access Paper

Influence of Sn content on the hydrogenation of crotonaldehyde catalysed by colloidally prepared PtSn nanoparticles

For increasing tin concentrations PtSn nanoparticles of similar size show a monotonically increasing selectivity towards crotylalcohol and a volcano like activity.

Graphical abstract: Influence of Sn content on the hydrogenation of crotonaldehyde catalysed by colloidally prepared PtSn nanoparticles
Paper

Ab initio and anion photoelectron study of AunRhm (n = 1–7, m = 1–2) clusters

Anion photoelectron spectroscopy and DFT calculations study on AunRhm (n = 1–7 and m = 1–2). PES spectra, vertical and adiabatic detachment energies, are compared. The characteristic planarity for gold clusters is preserved for many of the bimetallic clusters.

Graphical abstract: Ab initio and anion photoelectron study of AunRhm (n = 1–7, m = 1–2) clusters
Paper

Direct observation of the dealloying process of a platinum–yttrium nanoparticle fuel cell cathode and its oxygenated species during the oxygen reduction reaction

Size-selected 9 nm PtxY nanoparticles have recently shown an outstanding catalytic activity for the oxygen reduction reaction, representing a promising cathode catalyst for proton exchange membrane fuel cells (PEMFCs).

Graphical abstract: Direct observation of the dealloying process of a platinum–yttrium nanoparticle fuel cell cathode and its oxygenated species during the oxygen reduction reaction
Paper

Modelling of phase diagrams of nanoalloys with complex metallic phases: application to Ni–Sn

A novel method for modelling of size-dependent phase diagrams combines the CALPHAD method and ab initio calculations of surface stresses.

Graphical abstract: Modelling of phase diagrams of nanoalloys with complex metallic phases: application to Ni–Sn
Paper

Towards optimal seeding for the synthesis of ordered nanoparticle arrays on alumina/Ni3Al(111)

Adsorption and nucleation of different transition metals on alumina/Ni3Al(111) have been studied to shed light on the first stages of the synthesis of supported nanoparticles, rationalizing the experimental evidence that Pd seeding is the optimal choice to give rise to highly ordered patterns.

Graphical abstract: Towards optimal seeding for the synthesis of ordered nanoparticle arrays on alumina/Ni3Al(111)
Paper

Geometric and electronic structure and magnetic properties of Fe–Au nanoalloys: insights from ab initio calculations

Fe–Au nanoparticles maintain almost a constant magnetic moment of ∼2.8 μB, which is 27% enhancement from the bulk value.

Graphical abstract: Geometric and electronic structure and magnetic properties of Fe–Au nanoalloys: insights from ab initio calculations
Paper

Kinetic analysis of the reduction of 4-nitrophenol catalyzed by Au/Pd nanoalloys immobilized in spherical polyelectrolyte brushes

We present a detailed study of the catalytic activity of Au/Pd nanoalloys with Au : Pd molar ratio 75 : 25 synthesized using spherical polyelectrolyte brushes (SPB) as carrier system.

Graphical abstract: Kinetic analysis of the reduction of 4-nitrophenol catalyzed by Au/Pd nanoalloys immobilized in spherical polyelectrolyte brushes
Paper

Synergistic effects of Ir–Au/TiO2 catalysts in the total oxidation of propene: influence of the activation conditions

Enhanced catalytic activity of the bimetallic Ir–Au/TiO2 catalyst, prepared by sequential deposition–precipitation with urea, in the total oxidation of propene due to a surface Ir0–Au0 synergism.

Graphical abstract: Synergistic effects of Ir–Au/TiO2 catalysts in the total oxidation of propene: influence of the activation conditions
Paper

Au–Rh and Au–Pd nanocatalysts supported on rutile titania nanorods: structure and chemical stability

Au–Rh and Au–Pd nanoalloys synthesized by colloidal methods and immobilized on rutile titania nanorods are more stable than their monometallic counterparts for tetralin hydrogenation in the presence of sulfur.

Graphical abstract: Au–Rh and Au–Pd nanocatalysts supported on rutile titania nanorods: structure and chemical stability
Open Access Paper

Modular construction of size-selected multiple-core Pt–TiO2 nanoclusters for electro-catalysis

Modular construction of platinum–titanium dioxide clusters, which exhibit multiple Pt cores with a preferred size of 30 ± 6 atoms.

Graphical abstract: Modular construction of size-selected multiple-core Pt–TiO2 nanoclusters for electro-catalysis
Paper

Dynamics and stability of icosahedral Fe–Pt nanoparticles

An ab initio theoretical study on icosahedral Fe–Pt clusters – one of the most interesting nanoalloys with high application potential.

Graphical abstract: Dynamics and stability of icosahedral Fe–Pt nanoparticles
Open Access Paper

Gas phase selective hydrogenation over oxide supported Ni–Au

Ni–Au synergism on Al2O3 and TiO2 generates increased surface reactive hydrogen with elevated reaction rates in the hydrogenation of nitroarenes.

Graphical abstract: Gas phase selective hydrogenation over oxide supported Ni–Au
Paper

Crossover among structural motifs in Pd–Au nanoalloys

The crossovers among the most abundant structural motifs (icosahedra, decahedra and truncated octahedra) of Pd–Au nanoalloys are determined theoretically in a size range between 2 and 7 nm and for three compositions equivalent to Pd3Au, PdAu and PdAu3.

Graphical abstract: Crossover among structural motifs in Pd–Au nanoalloys
Paper

Nanoalloy electrocatalysis: simulating cyclic voltammetry from configurational thermodynamics with adsorbates

Simulated 2-dimensional cyclic voltammetry for nanoalloys with a hybrid ensemble scheme in Monte Carlo simulation based on the cluster expansion method.

Graphical abstract: Nanoalloy electrocatalysis: simulating cyclic voltammetry from configurational thermodynamics with adsorbates
Open Access Paper

Study of structures and thermodynamics of CuNi nanoalloys using a new DFT-fitted atomistic potential

Structure and thermodynamics of CuNi nanoalloys determined by a new DFT-fitted atomistic potential.

Graphical abstract: Study of structures and thermodynamics of CuNi nanoalloys using a new DFT-fitted atomistic potential
Paper

Gold–palladium core@shell nanoalloys: experiments and simulations

In this work, we report a facile synthesis route, structural characterization, and full atomistic simulations of gold–palladium nanoalloys.

Graphical abstract: Gold–palladium core@shell nanoalloys: experiments and simulations
Paper

Metastable alloy nanoparticles, metal-oxide nanocrescents and nanoshells generated by laser ablation in liquid solution: influence of the chemical environment on structure and composition

Metastable nanoalloys, metal-oxide nanocrescents and metal@oxide nanoshells are generated by laser ablation in liquid solution (LASiS).

Graphical abstract: Metastable alloy nanoparticles, metal-oxide nanocrescents and nanoshells generated by laser ablation in liquid solution: influence of the chemical environment on structure and composition
Paper

Vibrational properties and specific heat of core–shell Ag–Au icosahedral nanoparticles

The vibrational density of states (VDOS) of metal nanoparticles can be a fingerprint of their geometrical structure and determine their low-temperature thermal properties.

Graphical abstract: Vibrational properties and specific heat of core–shell Ag–Au icosahedral nanoparticles
Paper

Structural disordering of de-alloyed Pt bimetallic nanocatalysts: the effect on oxygen reduction reaction activity and stability

We show how alloying and excessive de-alloying affect ORR activity and the structural integrity of PEMFC nanocatalysts.

Graphical abstract: Structural disordering of de-alloyed Pt bimetallic nanocatalysts: the effect on oxygen reduction reaction activity and stability
Paper

A new magnetic superatom: Cr@Zn17

We report on the theoretical discovery of a novel magnetic alkali-like superatom, and discuss its possible spintronics or biomedical applications.

Graphical abstract: A new magnetic superatom: Cr@Zn17
Open Access Correction

Correction: Study of structures and thermodynamics of CuNi nanoalloys using a new DFT-fitted atomistic potential

54 items

About this collection

In recent years, the interest in nanoalloys has increased dramatically, both from the points of view of experiment and of computation. Lively research activity has produced impressive advances in controlling the synthesis of nanoalloys. Also imaging and characterization techniques have been notably improved, especially in situ tools. New computational techniques for exploring the nanoalloy energy landscape have been developed, both at the ab-initio and at the atomistic level, together with impressive progress in calculating magnetic and optical properties.

This themed collection presents a thorough account of the most exciting current research in nanoalloys, with articles from the most active groups, who are defining the state of the art in the field. The Guest Editors for this themed collection are Riccardo Ferrando (Università Genova, Italy), Roy L. Johnston (University of Birmingham, UK) and Catherine Louis (UPMC-Paris 6, France).

Spotlight

Advertisements