Thermoelectric signature of d-orbitals in tripod-based molecular junctions

Promoting the thermoelectric properties of single-molecule junctions is a significant goal of a wide range of studies. Herein, the excellent consistency between current theoretical results and the experimental outcomes of previous studies helped establish a robust strategy for incorporating differen...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Materials advances 2024-11
Hauptverfasser: Al-Owaedi, Oday A., Najeeb, Hussein Neama, Aldulaimi, Ahmed Kareem Obaid, Alwan, Nathera Hussin, Ali, Mohammed Shnain, Dwech, Majed H., AL-Da’amy, Muneer A.
Format: Artikel
Sprache:eng
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
Zusammenfassung:Promoting the thermoelectric properties of single-molecule junctions is a significant goal of a wide range of studies. Herein, the excellent consistency between current theoretical results and the experimental outcomes of previous studies helped establish a robust strategy for incorporating different transition metals into tripod connectors. This strategy proves that the involved dπ–pπ conjugation can not only enhance the electrical conductance, similar to that of conjugated hydrocarbons, but also improve the thermoelectric properties through interactions induced by the metal centre. The incorporation of the metal leads to an unconventional stereoelectronic effect caused by the metal–carbon dπ–pπ hyperconjugation. The odd number of electrons in the d-orbitals of molecular junctions with transition-metal centres presents a clear signature in the enhanced Seebeck coefficient, making them promising candidates for thermoelectric applications.
ISSN:2633-5409
2633-5409
DOI:10.1039/D4MA00646A