Structural properties of sub-nanometer metallic clusters

F Baletto - Journal of Physics: Condensed Matter, 2019 - iopscience.iop.org
At the nanoscale, the investigation of structural features becomes fundamental as we can
establish relationships between cluster geometries and their physicochemical properties …

Bimetallic AgAualloy@ ZnO core-shell nanoparticles for ultra-high detection of ethanol: Potential impact of alloy composition on sensing performance

MJ Ahemad, TD Le, DS Kim, YT Yu - Sensors and Actuators B: Chemical, 2022 - Elsevier
The detection/sensing properties of chemiresistive gas sensors are greatly improved by
catalytically triggered bimetallic alloyed nanoparticles, because of their synergistic effect. In …

Unravelling the nucleation mechanism of bimetallic nanoparticles with composition-tunable core–shell arrangement

TW Liao, A Yadav, KJ Hu, J van der Tol, S Cosentino… - Nanoscale, 2018 - pubs.rsc.org
The structure and atomic ordering of Au–Ag nanoparticles grown in the gas phase are
determined by a combination of HAADF-STEM, XPS and Refl-XAFS techniques as a …

Thermal behavior of different types of Au–Pt–Pd nanoparticles: Dumbbell-like, three-shell, core-shell, and random-alloy

H Akbarzadeh, E Mehrjouei, M Abbaspour… - Materials Chemistry and …, 2023 - Elsevier
In recent years, the synthesis of multimetallic nanoparticles with different configurations has
been considered due to the special catalytic properties. Since, the catalytic performance of …

Au@ void@ Ag yolk–shell nanoclusters visited by molecular dynamics simulation: the effects of structural factors on thermodynamic stability

H Akbarzadeh, E Mehrjouei… - The Journal of Physical …, 2017 - ACS Publications
Au@ void@ Ag yolk–shell nanoclusters were studied by molecular dynamics simulation in
order to study the effects of core and shell sizes on their thermodynamic stability and …

The effect of size and composition on structural transitions in monometallic nanoparticles

K Rossi, L Pavan, YY Soon, F Baletto - The European Physical Journal B, 2018 - Springer
Predicting the morphological stability of nanoparticles is an essential step towards the
accurate modelling of their chemophysical properties. Here we investigate solid–solid …

Au@ void@ AgAu yolk–shell nanoparticles with dominant strain effects: a molecular dynamics simulation

H Akbarzadeh, E Mehrjouei… - The Journal of …, 2017 - ACS Publications
Au@ void@ AgAu yolk–shell nanoparticles with different morphologies were studied by
classical molecular dynamics simulation. The results indicated that all of simulated yolk …

Mapping the effects of physical and chemical reduction parameters on local atomic distributions within bimetallic nanoparticles

HM Johnson, AM Dasher, M Monahan, S Seifert… - Nanoscale, 2022 - pubs.rsc.org
Bimetallic nanoparticles prove advantageous over their monometallic counterparts due to
the tunable, hybrid properties that result from combining different atomic species in a …

A transferable artificial neural network model for atomic forces in nanoparticles

S Jindal, SS Bulusu - The Journal of Chemical Physics, 2018 - pubs.aip.org
We have designed a new method to fit the energy and atomic forces using a single artificial
neural network (SANN) for any number of chemical species present in a molecular system …

Ag–Au bimetallic nanoclusters formed from a homogeneous gas phase: a new thermodynamic expression confirmed by molecular dynamics simulation

H Akbarzadeh, AN Shamkhali… - Physical Chemistry …, 2017 - pubs.rsc.org
In this work, two probabilistic and thermodynamic limits for formation of a bimetallic
nanocluster from a homogeneous gas phase were obtained in order to investigate the …