Please use this identifier to cite or link to this item:
https://doi.org/10.3389/fmats.2021.745698
DC Field | Value | |
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dc.title | A Systematic Approach for Semiconductor Half-Heusler | |
dc.contributor.author | Lim, Wei Yang Samuel | |
dc.contributor.author | Zhang, Danwei | |
dc.contributor.author | Duran, Solco Samantha Faye | |
dc.contributor.author | Tan, Xian Yi | |
dc.contributor.author | Tan, Chee Kiang Ivan | |
dc.contributor.author | Xu, Jianwei | |
dc.contributor.author | Suwardi, Ady | |
dc.date.accessioned | 2022-10-11T07:51:14Z | |
dc.date.available | 2022-10-11T07:51:14Z | |
dc.date.issued | 2021-11-08 | |
dc.identifier.citation | Lim, Wei Yang Samuel, Zhang, Danwei, Duran, Solco Samantha Faye, Tan, Xian Yi, Tan, Chee Kiang Ivan, Xu, Jianwei, Suwardi, Ady (2021-11-08). A Systematic Approach for Semiconductor Half-Heusler. Frontiers in Materials 8 : 745698. ScholarBank@NUS Repository. https://doi.org/10.3389/fmats.2021.745698 | |
dc.identifier.issn | 2296-8016 | |
dc.identifier.uri | https://scholarbank.nus.edu.sg/handle/10635/231987 | |
dc.description.abstract | The key to designing a half-Heusler begins from the understanding of atomic interactions within the compound. However, this pool of knowledge in half-Heusler compounds is briefly segregated in many papers for specific explanations. The nature of the chemical bonding has been systematically explored for the large transition-metal branch of the half-Heusler family using density-of-states, charge-density, charge transfer, electron-localization-function, and crystal-orbital-Hamilton-population plots. This review aims to simplify the study of a conventional 18-electron configuration half-Heusler by applying rules proposed by renowned scientists to explain concepts such as Zintl-Klemm, hybridization, and valence electron content (VEC). Atomic and molecular orbital diagrams illustrate the electron orbital transitions and provide clarity to the semiconducting behavior (VEC = 18) of half-Heusler. Eighteen-electron half-Heusler usually exhibits good thermoelectric properties owing to favorable electronic structures such as narrow bandgap (<1.1 eV), thermal stability, and robust mechanical properties. The insights derived from this review can be used to design high-performance half-Heusler thermoelectrics. © Copyright © 2021 Lim, Zhang, Duran, Tan, Tan, Xu and Suwardi. | |
dc.publisher | Frontiers Media S.A. | |
dc.rights | Attribution 4.0 International | |
dc.rights.uri | https://creativecommons.org/licenses/by/4.0/ | |
dc.source | Scopus OA2021 | |
dc.subject | band structure | |
dc.subject | Heusler | |
dc.subject | hybridization | |
dc.subject | orbital theory | |
dc.subject | semiconductor | |
dc.subject | thermoelectric | |
dc.subject | Zintl | |
dc.type | Review | |
dc.contributor.department | CHEMISTRY | |
dc.contributor.department | MATERIALS SCIENCE AND ENGINEERING | |
dc.description.doi | 10.3389/fmats.2021.745698 | |
dc.description.sourcetitle | Frontiers in Materials | |
dc.description.volume | 8 | |
dc.description.page | 745698 | |
Appears in Collections: | Staff Publications Elements |
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