Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation
. 2023 Jun 10;23(12):5478.
doi: 10.3390/s23125478.

Thermal Stability and Melting Dynamics of Bimetallic Au@Pt@Au Core-Shell Nanoparticles

Vadym Borysiuk  1   2 , Iakov A Lyashenko  1   3 , Valentin L Popov  1
Affiliations

Thermal Stability and Melting Dynamics of Bimetallic Au@Pt@Au Core-Shell Nanoparticles

Vadym Borysiuk et al. Sensors (Basel). .

Abstract

Thermal stability is an important feature of the materials used as components and parts of sensors and other devices of nanoelectronics. Here we report the results of the computational study of the thermal stability of the triple layered Au@Pt@Au core-shell nanoparticles, which are promising materials for H2O2 bi-directional sensing. A distinct feature of the considered sample is the raspberry-like shape, due to the presence of Au nanoprotuberances on its surface. The thermal stability and melting of the samples were studied within classical molecular dynamics simulations. Interatomic forces were computed within the embedded atom method. To investigate the thermal properties of Au@Pt@Au nanoparticles, structural parameters such as Lindemann indexes, radial distribution functions, linear distributions of concentration, and atomistic configurations were calculated. As the performed simulations showed, the raspberry-like structure of the nanoparticle was preserved up to approximately 600 K, while the general core-shell structure was maintained up to approximately 900 K. At higher temperatures, the destruction of the initial fcc crystal structure and core-shell composition was observed for both considered samples. As Au@Pt@Au nanoparticles demonstrated high sensing performance due to their unique structure, the obtained results may be useful for the further design and fabrication of the nanoelectronic devices that are required to work within a certain range of temperatures.

Keywords: Lindemann index; bimetallic nanoparticles; core-shell structure; melting; molecular dynamics.

PubMed Disclaimer

Conflict of interest statement

The authors declare no conflict of interest.

Figures

Figure 1
Figure 1
Example of initial atomistic configurations of the studied NP with small (top panel) and large (bottom panel) Au protuberances (general (left) and cross-segmental (right) views). All snapshots were prepared using the visual molecular dynamics (VMD) software, version 1.9.1 [40].
Figure 2
Figure 2
Cross-sectional views and linear distributions of the concentrations of Au and Pt atoms of the sample 1 (top left and bottom left, respectively) and sample 2 (top right and bottom right, respectively).
Figure 3
Figure 3
Temperature dependencies of the average Lindemann index (left panel) and potential energy (right panel) of sample 1 and sample 2 (curves denoted in the figure).
Figure 4
Figure 4
Distribution of the atoms according to the magnitude of Lindemann index within the volume of the sample at different temperatures for sample 2 (top left) and sample 1 (top right) and related linear distributions of the concentrations of Au and Pt atoms for sample 2 (bottom left) and sample 1 (bottom right).
Figure 5
Figure 5
Snapshots of atomistic configurations of the samples at different temperatures. Top panel shows cross-segmental views of the sample 1, while bottom panel represents the same for sample 2.
Figure 6
Figure 6
RDF calculated for sample 1 (left panel) and sample 2 (right panel) at different temperatures (temperature values denoted in the figure).
Figure 7
Figure 7
Linear distributions of the concentrations of Au atoms for sample 1 (left panel) and sample 2 (right panel) at different temperatures (temperature values denoted in the figure).
Figure 8
Figure 8
Temperature dependencies of the average Lindemann index for five samples of a different radius (left panel), and initial atomistic configurations of the studied samples (right panel). Sizes of the samples are denoted in the figure.
See this image and copyright information in PMC

Similar articles

See all similar articles

Cited by

References

    1. Ghosh C.R., Paria S. Core/shell nanoparticles: Classes, properties, synthesis mechanisms, characterization, and applications. Chem. Rev. 2012;112:2373–2433. doi: 10.1021/cr100449n. - DOI - PubMed
    1. Baek S.-W., Park G., Noh J., Cho C., Lee C.-H., Seo M.-K., Song H., Lee J.-Y. Au@Ag Core Shell Nanocubes for Efficient Plasmonic Light Scattering Effect in Low Bandgap Organic Solar Cells. ACS Nano. 2014;8:3302–3312. doi: 10.1021/nn500222q. - DOI - PubMed
    1. Xu J., Wilson A.R., Rathmell A.R., Howe J., Chi M., Wiley B.J. Synthesis and Catalytic Properties of Au-Pd Nanoflowers. ACS Nano. 2011;5:6119–6127. doi: 10.1021/nn201161m. - DOI - PubMed
    1. Toshima N., Yonezawa T. Bimetallic nanoparticles–novel materials for chemical and physical applications. New J. Chem. 1998;22:1179–1201. doi: 10.1039/a805753b. - DOI
    1. Boutonnet M., Lögdberg S., Svensson E.E. Recent developments in the application of nanoparticles prepared from w/o microemulsions in heterogeneous catalysis. Curr. Opin. Colloid Interface Sci. 2008;14:270286. doi: 10.1016/j.cocis.2007.10.001. - DOI