In situ observation of temperature-dependent atomistic and mesoscale oxidation mechanisms of aluminum nanoparticles

Gao, Jing; Yan, Jingyuan; Zhao, Beikai; Zhang, Ze; Yu, Qian

doi:10.1007/s12274-019-2593-3

Cited by 23 publications

(10 citation statements)

References 29 publications

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“…Oxidation can either provide protection to a material through formation of a dense oxide film that resists further corrosive attack or cause degradation of material's structure and properties [1][2][3]. Alloys have more intricate oxidation characteristics than pure metals owing to the different affinities between oxygen and various alloying elements, diverse formation energies of multiple oxide phases, and varying diffusivities of different elements in both the oxide and alloy [4][5][6].…”

Section: Introductionmentioning

confidence: 99%

Tuning the near room temperature oxidation behavior of high-entropy alloy nanoparticles

et al. 2021

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Understanding the oxidation behavior of high-entropy alloys (HEAs) is essential to their practical applications. Here we conducted in situ environmental transmission electron microscopy (E-TEM) observations of dynamic oxidation processes in CrMnFeCoNi and CrFeCoNiPd nanoparticles (NPs) near room temperature. During the oxidation of CrMnFeCoNi NPs, a favorable oxidation product was MnCr 2 O 4 with the spinel structure. The surface nanoislands of MnCr 2 O 4 underwent dynamic reconstruction, resulting in the thickened oxide layer with less crystallinity. In CrFeCoNiPd NPs, the reactive element Mn was replaced by the inert element Pd. As a result, a favorable oxide product was CrO 2 with the rutile structure. CrO 2 formed on the NP surface and was a result of Cr outward diffusion through the oxide layer. In addition, FeO nanocrystals formed at the oxide/metal interface and were a result of O inward diffusion through the oxide layer. We also performed first principles calculations to provide insights into the energetics and diffusion rates related to oxide formation. These results reveal the non-equilibrium processes of oxidation in HEA NPs that can be strongly influenced by small particle sizes and large surface areas. This work underscores the high tunability of oxidation behavior in nanoscale HEAs by changing their constituent alloying elements.

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Section: Introductionmentioning

confidence: 99%

Tuning the near room temperature oxidation behavior of high-entropy alloy nanoparticles

et al. 2021

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“…The alumina layer will reduce the energy release of aluminum combustion [6]. To improve these problems, aluminum nanoparticles (ANPs) with higher activity are used to replace the micro-sized ones because of its specific properties, such as size effect and surface-interface effect [7][8][9][10]. Meda et al used scanning electron microscopy, specific surface area measurements, X-ray photoelectron spectroscopy, and X-ray diffraction to study the combustion characteristics of nano-aluminum powder in solid propellants.…”

Section: Graphical Abstract Introductionmentioning

confidence: 99%

Atomistic insight into shell–core evolution of aluminum nanoparticles in reaction with gaseous oxides at high temperature

Song

Xu²,

Zhao³

et al. 2020

J Mater Sci

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Aluminum nanoparticles (ANPs), as an economical and effective metal fuel, are widely applied in energetic formulations. The objective of this research was to gain insights into the oxidation of ANPs in gaseous oxides (CO 2 , CO, NO 2 , and NO). The reactive molecular dynamics (RMD) simulations were performed to elucidate the detailed mechanisms of surface oxidation, chain-like products formation, and hollow formation in the evolution of ANPs. The O atoms in gaseous oxides are adsorbed on the ANPs' surface followed by the cleavage of O-C/N bond. The nucleation and growth of chain-like products occur in dense gaseous oxides. The four forms of chain products include tilted chain, twisted chain, branched chain, and cyclic chain were observed in CO atmosphere. A similar chain structure is also formed in NO atmosphere, but the chain length is significantly reduced. The oxide shell of ANPs is formed and expands rapidly in CO 2 atmosphere, resulting in voids between oxide shell and Al core. Al atoms are transported from the core to the oxide shell through a bridge composed of Al atoms. The Al core gradually diffused outward and was eventually hollowed out. In addition, the final product has carbon deposits (C 48 and C 98) on the surface and core.

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“…With rapid development of nanoscience during the past decade, many studies have become to be focused on oxidation of metal nanoparticles (NPs; see, e.g., recent experiments [26][27][28][29][30][31][32][33][34] and models [35][36][37][38][39][40][41][42][43]). Such NPs can often be easily fully converted into the oxide state, and accordingly the understanding of the mechanisms of their oxidation and its specifics compared to the macroscopic samples is interesting not only from the perspective of basic science but also crucial for their numerous applications in various fields ranging from electronics to medicine.…”

Section: Introductionmentioning

confidence: 99%

“…In macroscopic samples, the role of this effect is usually considered to be minor. The understanding of the mechanistic details of oxidation of metal NPs is now limited because accurate monitoring of oxidation on the nm scale is still challenging (see, e.g., already mentioned recent studies [26][27][28][29][30][31][32][33][34]).…”

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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In situ observation of temperature-dependent atomistic and mesoscale oxidation mechanisms of aluminum nanoparticles

Cited by 23 publications

References 29 publications

Tuning the near room temperature oxidation behavior of high-entropy alloy nanoparticles

Tuning the near room temperature oxidation behavior of high-entropy alloy nanoparticles

Atomistic insight into shell–core evolution of aluminum nanoparticles in reaction with gaseous oxides at high temperature

Simulations of oxidation of metal nanoparticles with a grain boundary inside

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