Fe segregation as a tool to enhance electrical conductivity of grain boundaries in Ti(Co,Fe)Sb half Heusler thermoelectrics
Complex microstructures are found in many thermoelectric materials and can be used to optimize their transport properties. Grain boundaries in particular scatter phonons, but they often impede charge carrier transfer at the same time. Designing grain boundaries in order to offer a conductive path fo...
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| Published in | Acta materialia Vol. 249; p. 118816 |
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| Main Authors | , , , , , , , , , |
| Format | Journal Article |
| Language | English |
| Published |
Elsevier Ltd
01.05.2023
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| Subjects | |
| Online Access | Get full text |
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| Abstract | Complex microstructures are found in many thermoelectric materials and can be used to optimize their transport properties. Grain boundaries in particular scatter phonons, but they often impede charge carrier transfer at the same time. Designing grain boundaries in order to offer a conductive path for electrons is a substantial opportunity to optimize thermoelectrics. Here, we demonstrate in TiCoSb half Heusler compounds that Fe-dopants segregate to grain boundaries and simultaneously increase the electrical conductivity and reduce the thermal conductivity. To explain these phenomena, three samples with different grain sizes are synthesized and a model is developed to relate the electrical conductivity with the area fraction of grain boundaries. The electrical conductivity of grain interior and grain boundaries is calculated and the atomic structure of grain boundaries is studied in detail. Segregation engineering in fine-grained thermoelectrics is proposed as a new design tool to optimize transport properties while achieving a lower thermal conductivity.
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| AbstractList | Complex microstructures are found in many thermoelectric materials and can be used to optimize their transport properties. Grain boundaries in particular scatter phonons, but they often impede charge carrier transfer at the same time. Designing grain boundaries in order to offer a conductive path for electrons is a substantial opportunity to optimize thermoelectrics. Here, we demonstrate in TiCoSb half Heusler compounds that Fe-dopants segregate to grain boundaries and simultaneously increase the electrical conductivity and reduce the thermal conductivity. To explain these phenomena, three samples with different grain sizes are synthesized and a model is developed to relate the electrical conductivity with the area fraction of grain boundaries. The electrical conductivity of grain interior and grain boundaries is calculated and the atomic structure of grain boundaries is studied in detail. Segregation engineering in fine-grained thermoelectrics is proposed as a new design tool to optimize transport properties while achieving a lower thermal conductivity.
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| ArticleNumber | 118816 |
| Author | Bueno Villoro, Ruben Bishara, Hanna Luo, Ting Gault, Baptiste Zhang, Siyuan Wood, Maxwell Zavanelli, Duncan Abdellaoui, Lamya Snyder, Gerald Jeffrey Scheu, Christina |
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| CitedBy_id | crossref_primary_10_1016_j_mtcomm_2023_106943 crossref_primary_10_1021_acsanm_3c06054 crossref_primary_10_1002_adfm_202405413 crossref_primary_10_1016_j_cej_2024_151404 crossref_primary_10_1016_j_mtphys_2023_101240 crossref_primary_10_1039_D3TA02735J crossref_primary_10_1007_s10854_024_12424_8 crossref_primary_10_1002_adfm_202301815 crossref_primary_10_1021_acsami_3c10298 crossref_primary_10_1016_j_xcrp_2024_101799 |
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| Keywords | Grain boundaries Characterization Thermoelectrics Electrical conductivity Half Heusler intermetallics |
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| Title | Fe segregation as a tool to enhance electrical conductivity of grain boundaries in Ti(Co,Fe)Sb half Heusler thermoelectrics |
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