Formation Mechanism and High Thermoelectric Performance of Cu5+3xFe1‐xS4 Icosahedral Nanoparticles with Distinctive Core‐Shell Structures
S Zheng, X Yang, H Wang, B Zhang… - Advanced Energy …, 2022 - Wiley Online Library
Multiply twinned icosahedrons possess a diversity of unique functionalities well‐suited to
various applications, such as thermoelectric conversion. Regarding chalcogenide …
various applications, such as thermoelectric conversion. Regarding chalcogenide …
Realizing Enhanced Thermoelectric Performance and Hardness in Icosahedral Cu5FeS4−xSex with High‐Density Twin Boundaries
Abstract Bornite (Cu5FeS4) is an Earth‐abundant, nontoxic thermoelectric material. Herein,
twin engineering and Se alloying are combined in order to further improve its thermoelectric …
twin engineering and Se alloying are combined in order to further improve its thermoelectric …
Elemental segregation in multimetallic core–shell nanoplates
In this work, we report an element segregation phenomenon in two-dimensional (2D) core–
shell nanoplates, subsequently resulting in the formation of yolk-cage nanostructures after …
shell nanoplates, subsequently resulting in the formation of yolk-cage nanostructures after …
Chemical ordering in Pt–Au, Pt–Ag and Pt–Cu nanoparticles from density functional calculations using a topological approach
Bimetallic alloys are actively investigated as promising new materials for catalytic and other
energy-related applications. However, the stable arrangements of the two metals in …
energy-related applications. However, the stable arrangements of the two metals in …
Element segregation and thermal stability of Ni–Rh nanoparticles
Y Xu, G Wang, P Qian, Y Su - Journal of Solid State Chemistry, 2022 - Elsevier
A new angular-dependent potential (ADP) of Ni–Rh system was obtained by fitting the
experimental data and first principle data, and the effectiveness of the potential was tested …
experimental data and first principle data, and the effectiveness of the potential was tested …
Janus icosahedral particles: amorphization driven by three-dimensional atomic misfit and edge dislocation compensation
Icosahedral nanoparticles composed of fivefold twinned tetrahedra have broad applications.
The strain relief mechanism and angular deficiency in icosahedral multiply twinned particles …
The strain relief mechanism and angular deficiency in icosahedral multiply twinned particles …
ADP potential for the Au-Rh system and its application in element segregation of nanoparticles
G Wang, Y Xu, P Qian, Y Su - Computational Materials Science, 2021 - Elsevier
A new ADP potential for the Au-Rh system was developed by fitting to a database of
experimental and first principle data, and the validity of the potential was tested. Then, the …
experimental and first principle data, and the validity of the potential was tested. Then, the …
Element segregation and thermal stability of Ni–Pd nanoparticles
Y Xu, G Wang, P Qian, Y Su - Journal of Materials Science, 2022 - Springer
A new high-precision angular-dependent potential of the Ni–Pd system was obtained by
fitting the experimental data and first-principles calculations. Then, the element segregation …
fitting the experimental data and first-principles calculations. Then, the element segregation …
Elasticity of pentagonal wires: single disclination model versus distributed disclination model
RE Shevchuk, SA Krasnitckii, AE Romanov… - Letters on …, 2024 - lettersonmaterials.com
The present work aims to provide the differences in elasticity of pentagonal wires and rods
within the framework of distributed and single disclination models, employing both the …
within the framework of distributed and single disclination models, employing both the …
Structural characteristics and thermal stability of Pt-Ni nanoparticles
G Wang, Y Xu, P Qian - Applied Physics A, 2023 - Springer
Abstract The Monte Carlo and molecular dynamics simulations were carried out for the Pt-Ni
nanoparticles using the angular-dependent potential. The effects of composition, size and …
nanoparticles using the angular-dependent potential. The effects of composition, size and …