Relaxation of a dislocation in a nanocrystallite

Zhdanov, Vladimir P.

doi:10.1016/j.physleta.2018.11.035

Cited by 7 publications

(2 citation statements)

References 18 publications

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“…31 As a result, strain energy near the interface where lattice mismatches occur due to the alloying reaction can be reduced through strain relaxation, such as defect formation at the strained position, defect annihilation at the surface, and interdiffusion, finally reducing G s and G total . 54–56 These phenomena restore the driving force for further alloying reaction. In the Sb–Na alloying system, the insertion of larger Na ions, which are larger than Li ions, induces more significant volume strain, increasing the strain energy around the inserted sites and weakening the driving force for further alloying reaction.…”

Section: Reducing the Miscibility Gap Through Gibbs Free Energy Of Mi...mentioning

confidence: 90%

Manipulating non-equilibrium diffusion-controlled reaction toward reversible alloying reactions in alkali ion batteries

Kim,

Cho,

Lyu

et al. 2024

Energy Environ. Sci.

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Section: Reducing the Miscibility Gap Through Gibbs Free Energy Of Mi...mentioning

confidence: 90%

Manipulating non-equilibrium diffusion-controlled reaction toward reversible alloying reactions in alkali ion batteries

Kim,

Cho,

Lyu

et al. 2024

Energy Environ. Sci.

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“…In metal NPs, the rate of relaxation of grain boundaries or dislocations rapidly increases with decreasing particle size [51,52]. In relatively large particles of size ∼ 100 nm , grains can be fairly stable, and the pathway of oxidation along grain boundaries in a metal can be efficient.…”

Section: Introductionmentioning

confidence: 99%

Simulations of oxidation of metal nanoparticles with a grain boundary inside

Zhdanov

2020

Reac Kinet Mech Cat

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The generic 2D lattice Monte Carlo simulations presented herein are focused on the spatio-temporal kinetics of oxidation of metal nanoparticles composed of two grains separated by a single grain boundary. The oxidation is assumed to occur via inward diffusion of interstitial oxygen ions in the oxide. The results of simulations illustrate that the regimes of oxidation can range from one where the presence of grains is negligible and the oxide shell is formed at the periphery of a whole nanoparticle to one where each grain is oxidized almost independently.

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Shedding Light on the Role of Misfit Strain in Controlling Core–Shell Nanocrystals

2020

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components including metals, semiconductors, and insulators into various coreshell configurations. The compositional flexibility and structural tunability of coreshell nanocrystals open up tremendous opportunities for obtaining highly designable physical and chemical properties. [5] For most combinations of materials, the epitaxy is associated with the buildup of elastic strains that result from mismatched lattices of the constituent parts. The misfit strain has long been recognized as an important factor that affects the formation and property of epitaxial structures. For example, misfit strain can induce lattice defects such as dislocations, which degrade the quality of the epitaxial layers and cause problems in device fabrication. [6] On the other hand, misfit strain in defect-free epilayers is very useful for optimizing the properties of heterostructures. Elastic strain has been shown to stabilize single crystallite cubic formamidinium lead iodide (FAPbI 3) thin films that offer high quantum efficiency for photodetection. [7] The strain controlled ferroelastic switching in PbTiO 3 thin films also demonstrates high sensitivity for potential applications in pressure sensors and switches. [8] Misfit stain holds more leverage in heteroepitaxial core-shell nanocrystals than in epitaxial thin-films grown on bulk substrates. Owing to the large specific surface area, nanocrystals are enclosed by various crystal facets with distinct crystallographic parameters. Accordingly, nanocrystal heteroepitaxy is characterized by concurrent deposition of epilayers on all the exposed crystal facets of the core nanocrystals. [9] From a crystallographic point of view, epitaxial deposition on different crystal facets may be subjected to a variation of interfacial strains. Besides, misfit strains in core-shell nanocrystals are usually shared by the epilayer and substrate, [10] which gives rise to diversified strain build-up and relaxation processes. Consequently, epitaxial kinetics in different crystallographic directions are largely manipulated by the structure symmetry as well as the size and morphology of the core nanocrystals. [11] On a separate note, nanocrystals are more amenable to strain than the bulk counterparts due to the increase of elasticity at the nanometer length scale. [12] Therefore, strain engineering is increasingly employed to control the formation and functionality of heteroepitaxial nanostructures in recent years. [13] In this review, we summarize recent developments in the understanding and exploitation of misfit strain in heteroepitaxial core-shell nanocrystals (Figure 1). In Section 2, we Heteroepitaxial modification of nanomaterials has become a powerful means to create novel functionalities for various applications. One of the most elementary factors in heteroepitaxial nanostructures is the misfit strain arising from mismatched lattices of the constituent parts. Misfit strain not only dictates epitaxy kinetics for diversifying nanocrystal morphologies but also provides rational control over materials prope...

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Relaxation of a dislocation in a nanocrystallite

Cited by 7 publications

References 18 publications

Manipulating non-equilibrium diffusion-controlled reaction toward reversible alloying reactions in alkali ion batteries

Manipulating non-equilibrium diffusion-controlled reaction toward reversible alloying reactions in alkali ion batteries

Simulations of oxidation of metal nanoparticles with a grain boundary inside

Shedding Light on the Role of Misfit Strain in Controlling Core–Shell Nanocrystals

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