Size-dependent cohesive energy, melting temperature, and Debye temperature of spherical metallic nanoparticles

Qu, Yandong; Liang, Xinzeng; Kong, Xiangqing; Zhang, W. J.

doi:10.1134/s0031918x17060102

Cited by 49 publications

(32 citation statements)

References 32 publications

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“…4A. This value is in close agreement to previous experimental work demonstrating a Debye temperature for Au of 165 K. [75][76][77] In addition to these findings, it was possible to refine the value of V 0 from the modelling of the volumetric lattice expansion.…”

Section: Atsupporting

confidence: 88%

Temperature reversible synergistic formation of cerium oxyhydride and Au hydride: a combined XAS and XPDF study

Clark

Acerbi

Chater

et al. 2020

Phys. Chem. Chem. Phys.

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Section: Atsupporting

confidence: 88%

Temperature reversible synergistic formation of cerium oxyhydride and Au hydride: a combined XAS and XPDF study

Clark

Acerbi

Chater

et al. 2020

Phys. Chem. Chem. Phys.

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“…To clearly illustrate how the cohesive energy per NC changes with superstructure size, Equation is plotted for the 〈100〉‐configuration in Figure S13a in the Supporting Information, by setting h = n (i.e., a perfect supercube). This curve shows a striking similarity to the cohesive energy per atom in single metallic NPs (Figure S13b, Supporting Information), but of course at the larger length scale. Furthermore, this discovery adds new opportunities in tuning mechanical properties of superstructured materials, which has not been addressed to date, i.e., through the overall size of the superstructure.…”

Section: Discussionmentioning

confidence: 66%

“…Based on the simulation results, we derive a simple mathematical expression describing the cohesive energy of the considered superstructure systems of any size and configuration. This novel “super‐size effect” observed in supercrystals made from NPs (often referred to as “artificial atoms”), analogous to the conventional size effect displayed in the scale of single NPs (i.e., atomic systems), remains evident beyond the nanoscale far up on the sub‐micrometer scale. Our results thus advance our fundamental understanding to design multifunctional materials with tunable properties across different length scales.…”

Section: Introductionmentioning

confidence: 98%

Magnetically Enhanced Mechanical Stability and Super‐Size Effects in Self‐Assembled Superstructures of Nanocubes

Håkonsen

Singh

Normile

et al. 2019

Adv Funct Materials

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Artificial materials from the self‐assembly of magnetic nanoparticles exhibit extraordinary collective properties; however, to date, the contribution of nanoscale magnetism to the mechanical properties of this class of materials is overlooked. Here, through a combination of Monte Carlo simulations and experimental magnetic measurements, this contribution is shown to be important in self‐assembled superstructures of magnetite nanocubes. By simulating the relaxation of interacting macrospins in the superstructure systems, the relationship between nanoscale magnetism, nanoparticle arrangement, superstructure size, and mechanical stability is established. For all considered systems, a significant enhancement in cohesive energy per nanocube (up to 45%), and thus in mechanical stability, is uncovered from the consideration of magnetism. Magnetic measurements fully support the simulations and confirm the strongly interacting character of the nanocube assembly. The studies also reveal a novel super‐size effect, whereby mechanically destabilization occurs through a decrease in cohesive energy per nanocube as the overall size (number of particles) of the system decreases. The discovery of this effect opens up new possibilities in size‐controlled tuning of superstructure properties, thus contributing to the design of next‐generation self‐assembled materials with simultaneous enhancement of magnetic and mechanical properties.

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“…Again, including the effect of structure of nanoparticle i.e. effect of packing fraction η [14], Eq. (4) becomes Thus, the Eq.…”

Section: Methods Of Analysismentioning

confidence: 99%

Modeling for the study of thermophysical properties of metallic nanoparticles

Jaiswal¹,

Pandey

2021

SN Appl. Sci.

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Successful description and explanation of thermophysical properties at the nano level is a task of great challenge even yet today. Although great effort has been made by pioneer workers and scientists in this field but still the exact model for the prediction and explanation of these properties is lagging. In the current work, we have proposed a new model to calculate the thermophysical properties like specific heat, melting enthalpy, and melting entropy of nanomaterials, which are calculated with the help of a cohesive energy model including shape effect in addition to structure of materials at the nano level. The relaxation factor due to the dangling bond at the surface of nanoparticles is taken under consideration. The obtained results using this model is fully consistent with the available experimental findings for the above said thermophysical properties for silver (Ag), copper (Cu), Palladium (Pd), Aluminium (Al), and Indium (In). This encouraging idea has also been used to predict the nature of variation of above mentioned important thermodynamic properties of other materials at their nano level.

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Size-dependent cohesive energy, melting temperature, and Debye temperature of spherical metallic nanoparticles

Cited by 49 publications

References 32 publications

Temperature reversible synergistic formation of cerium oxyhydride and Au hydride: a combined XAS and XPDF study

Temperature reversible synergistic formation of cerium oxyhydride and Au hydride: a combined XAS and XPDF study

Magnetically Enhanced Mechanical Stability and Super‐Size Effects in Self‐Assembled Superstructures of Nanocubes

Modeling for the study of thermophysical properties of metallic nanoparticles

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