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Exploring the Thermal and Ionic Transport of Cu+ Conducting Argyrodite Cu7PSe6
- AbstractUnderstanding the origin of low thermal conductivities in ionic conductors is essential for improving their thermoelectric efficiency, although accompanying high ionic conduction may present challenges for maintaining thermoelectric device integrity. This study investigates the thermal and ionic transport in Cu7PSe6, aiming to elucidate their fundamental origins and correlation with the structural and dynamic properties. Through a comprehensive approach including various characterization techniques and computational analyses, it is demonstrated that the low thermal conductivity in Cu7PSe6 arises from structural complexity, variations in bond strengths, and high lattice anharmonicity, leading to pronounced diffuson transport of heat and fast ionic conduction. It is found that upon increasing the temperature, the ionic conductivity increases significantly in Cu7PSe6, whereas the thermal conductivity remains nearly constant, revealing no direct correlation between ionic andAbstractUnderstanding the origin of low thermal conductivities in ionic conductors is essential for improving their thermoelectric efficiency, although accompanying high ionic conduction may present challenges for maintaining thermoelectric device integrity. This study investigates the thermal and ionic transport in Cu7PSe6, aiming to elucidate their fundamental origins and correlation with the structural and dynamic properties. Through a comprehensive approach including various characterization techniques and computational analyses, it is demonstrated that the low thermal conductivity in Cu7PSe6 arises from structural complexity, variations in bond strengths, and high lattice anharmonicity, leading to pronounced diffuson transport of heat and fast ionic conduction. It is found that upon increasing the temperature, the ionic conductivity increases significantly in Cu7PSe6, whereas the thermal conductivity remains nearly constant, revealing no direct correlation between ionic and thermal transport. This absence of direct influence suggests innovative design strategies in thermoelectric applications to enhance stability by diminishing ionic conduction, while maintaining low thermal conductivity, thereby linking the domains of solid‐state ionics and thermoelectrics. Thus, this study attempts to clarify the fundamental principles governing thermal and ionic transport in Cu+‐superionic conductors, similar to recent findings in Ag+ argyrodites.…
Autor*innen: | Anupama Ghata, Tim Bernges, Oliver Maus, Björn Wankmiller, Aakash Ashok Naik, Joana Bustamante, Michael W. Gaultois, Olivier Delaire, Michael Ryan Hansen, Janine George, Wolfgang G. ZeierORCiD |
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Dokumenttyp: | Zeitschriftenartikel |
Veröffentlichungsform: | Verlagsliteratur |
Sprache: | Englisch |
Titel des übergeordneten Werkes (Englisch): | Advanced Energy Materials |
Jahr der Erstveröffentlichung: | 2024 |
Organisationseinheit der BAM: | 6 Materialchemie |
6 Materialchemie / 6.0 Abteilungsleitung und andere | |
Veröffentlichende Institution: | Bundesanstalt für Materialforschung und -prüfung (BAM) |
Verlag: | Wiley |
Aufsatznummer: | 2402039 |
Erste Seite: | 1 |
Letzte Seite: | 9 |
DDC-Klassifikation: | Technik, Medizin, angewandte Wissenschaften / Ingenieurwissenschaften / Ingenieurwissenschaften und zugeordnete Tätigkeiten |
Freie Schlagwörter: | Bonding Analysis; Chemically Complex Materials; DFT; Phonons; Thermoelectrics |
Themenfelder/Aktivitätsfelder der BAM: | Material |
Material / Materialdesign | |
DOI: | 10.1002/aenm.202402039 |
URN: | urn:nbn:de:kobv:b43-608866 |
Verfügbarkeit des Dokuments: | Datei für die Öffentlichkeit verfügbar ("Open Access") |
Lizenz (Deutsch): | Creative Commons - CC BY - Namensnennung 4.0 International |
Datum der Freischaltung: | 28.08.2024 |
Referierte Publikation: | Ja |
Datum der Eintragung als referierte Publikation: | 28.08.2024 |
Schriftenreihen ohne Nummerierung: | Wissenschaftliche Artikel der BAM |