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  Grain boundary in NbCo(Pt)Sn half-Heusler compounds: Segregation and solute drag on grain boundary migration

Luo, T., Mangelinck, D., Serrano-Sánchez, F., Fu, C., Felser, C., & Gault, B. (2022). Grain boundary in NbCo(Pt)Sn half-Heusler compounds: Segregation and solute drag on grain boundary migration. Acta Materialia, 226: 117604, pp. 1-9. doi:10.1016/j.actamat.2021.117604.

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Genre: Journal Article
Alternative Title : Acta Materialia

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 Creators:
Luo, Ting1, Author
Mangelinck, Dominique1, Author
Serrano-Sánchez, Federico2, Author              
Fu, Chenguang1, Author
Felser, Claudia1, Author
Gault, Baptiste1, Author
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1External Organizations, ou_persistent22              
2Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863425              

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Free keywords: Grain boundary migration, Grain boundary segregation, Half-Heusler, NbCoSn, Thermoelectric, Ball milling, Drag, Grain boundaries, Niobium compounds, Segregation (metallography), Ternary alloys, Thermoelectricity, Tin alloys, Tin compounds, Arc-melting, Grain boundary migrations, Grain boundary segregation, Grain-boundaries, Half-heusler, Half-Heusler compound, Sintered samples, Solute drag, Thermoelectric, Thermoelectric application, Spark plasma sintering
 Abstract: Pt-doped NbCoSn is a promising n-type half-Heusler compound for thermoelectric applications. We show grain boundary (GB) segregation of Pt-dopants in the as-prepared sample after arc-melting and annealing (NbCo(Pt)Sn-AP), and in the as-sintered sample after ball milling and spark plasma sintering (NbCo(Pt)Sn-AS). In NbCo(Pt)Sn-AP, GBs are wetted by a 400nm-thick layer enriched with Pt and depleted in Sn. In NbCo(Pt)Sn-AS, Pt also appears enriched over only a few nanometers at GBs, but appears depleted on one side of the GBs, where Sn peaks. This anti-correlation between species is rationalized by calculating the solute-drag effect of solute on a migrating GB, i.e. assuming a bonding energy between solutes (Pt or Sn) and a moving boundary. The numerical and experimental results agree well. Our work highlights that the influence of GBs on the transport of charge carriers extends in a much wider microstructural region in the vicinity of GBs because of fluctuations in the materials composition, including the dopants. These GB-associated features should systematically be considered in the design of thermoelectric materials targeting an optimal conversion efficiency. © 2022 Acta Materialia Inc.

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Language(s): eng - English
 Dates: 2022-01-012022-01-01
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: -
 Identifiers: DOI: 10.1016/j.actamat.2021.117604
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Title: Acta Materialia
  Abbreviation : Acta Mater.
Source Genre: Journal
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Publ. Info: Kidlington : Elsevier Science
Pages: - Volume / Issue: 226 Sequence Number: 117604 Start / End Page: 1 - 9 Identifier: ISSN: 1359-6454
CoNE: https://pure.mpg.de/cone/journals/resource/954928603100