Comparison of Grain Boundary Structure in Metals and Semiconductors as Probed by Positrons

Kuriplach, J.

doi:10.12693/aphyspola.125.722

Cited by 4 publications

(2 citation statements)

References 21 publications

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“…The first component, τ 1 , is related to positrons trapped in free volumes in the region of grain boundaries (GB) [14]. In support of this interpretation the results of calculations carried out in [15] can also be cited. The second component corresponds to positrons trapped in nanovoids located in triple points [14].…”

Section: Resultsmentioning

confidence: 68%

Positron Annihilation in Magnetite Nanopowders Prepared by Co-Precipitation Method

et al. 2017

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Nanosized iron oxide powders are materials considered with regard to its application in medical therapy called hyperthermia. Magnetite nanopowders with crystallite size varying from 6.6 to 11.8 nm have been prepared by the co-precipitation method. In this study a change of a crystallite size is driven mainly by varying of initial pH of water ammonia solution in which a process of magnetite precipitation runs. Crystallographic structures and phase composition obtained samples and the size of magnetite nanoparticles were determined by X-ray diffraction method. Positron lifetime spectroscopy has been used to assess defectiveness of microstructure. Experimental positron annihilation spectra were successfully resolved into three lifetime components. It appears that from point of view of microstructure the defects concentrations in studied nanopowder samples are very high which causes a saturation of positron trapping.

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Section: Resultsmentioning

confidence: 68%

Positron Annihilation in Magnetite Nanopowders Prepared by Co-Precipitation Method

et al. 2017

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“…The real-space code [22] employed to calculate positron characteristics was extended to allow the treatment of non-orthogonal cells with GBs (the details will be published elsewhere). Theoretical positron GB studies are based on those performed already earlier in metals [26] and oxides [26,27].…”

Section: Grain Boundary Construction and Computational Methodsmentioning

confidence: 99%

First-Principles Study of the Impact of Grain Boundary Formation in the Cathode Material LiFePO4

2019

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Motivated by the need to understand the role of internal interfaces in Li migration occurring in Li-ion batteries, a first principles study of a coincident site lattice grain boundary in LiFePO4 cathode material and in its delithiated counterpart FPO4 is performed. The structure of the investigated grain boundary is obtained and the corresponding interface energy is calculated. Other properties, such as ionic charges and magnetic moments, excess free volume and the lifetime of positrons trapped at the interfaces, are determined and discussed. The results show that while the grain boundary in LiFePO4 has desired structural and bonding characteristics, the analogous boundary in FePO4 needs to be yet optimized to allow for an efficient Li diffusion study.

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Microstructure changes in Zr–1Nb alloy after pulsed electron beam surface modification and hydrogenation

Pushilina

Kudiiarov

Laptev

et al. 2015

Surface and Coatings Technology

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Comparison of Grain Boundary Structure in Metals and Semiconductors as Probed by Positrons

Cited by 4 publications

References 21 publications

Positron Annihilation in Magnetite Nanopowders Prepared by Co-Precipitation Method

Positron Annihilation in Magnetite Nanopowders Prepared by Co-Precipitation Method

First-Principles Study of the Impact of Grain Boundary Formation in the Cathode Material LiFePO4

Microstructure changes in Zr–1Nb alloy after pulsed electron beam surface modification and hydrogenation

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