Unprecedented Enhancement of Thermoelectric Power Factor Induced by Pressure in Small-Molecule Organic Semiconductors
© 2019 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
| Veröffentlicht in: | Advanced materials (Deerfield Beach, Fla.). - 1998. - 31(2019), 36 vom: 26. Sept., Seite e1901956 |
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| 1. Verfasser: | |
| Weitere Verfasser: | , , , , |
| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2019
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| Zugriff auf das übergeordnete Werk: | Advanced materials (Deerfield Beach, Fla.) |
| Schlagworte: | Journal Article first-principles calculations pressure small-molecule organic semiconductors thermoelectric materials |
| Zusammenfassung: | © 2019 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. Establishing the relationship between pressure and heat-electricity interconversion in van der Waals bonded small-molecule organic semiconductors is critical not only in designing flexible thermoelectric materials, but also in developing organic electronics. Here, based on first-principles calculations and using naphthalene as a case study, an unprecedented elevation of p-type thermoelectric power factor induced by pressure is demonstrated; and the power factor increases by 267% from 159.5 µW m-1 K-2 under ambient conditions to 585.8 µW m-1 K-2 at 2.1 GPa. The underlying mechanism is attributed to the dramatic inhibition of lattice-vibration-caused electronic scattering. Furthermore, it is revealed that both restraining low-frequency intermolecular vibrational modes and increasing intermolecular electronic coupling are two essential factors that effectively suppress the electron-phonon scattering. From the standpoint of molecular design, these two conditions can be achieved by extending the π-conjugated backbones, introducing long alkyl sidechains to the π-cores, and substituting heteroatoms in the π-cores |
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| Beschreibung: | Date Revised 30.09.2020 published: Print-Electronic Citation Status PubMed-not-MEDLINE |
| ISSN: | 1521-4095 |
| DOI: | 10.1002/adma.201901956 |