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231225s2019 xx |||||o 00| ||eng c |
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|a 10.1002/adma.201901956
|2 doi
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|a pubmed24n0998.xml
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|a (DE-627)NLM299602885
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|a DE-627
|b ger
|c DE-627
|e rakwb
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|a eng
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| 100 |
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|a Shi, Wen
|e verfasserin
|4 aut
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|a Unprecedented Enhancement of Thermoelectric Power Factor Induced by Pressure in Small-Molecule Organic Semiconductors
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|c 2019
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|a Text
|b txt
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|a ƒaComputermedien
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|2 rdamedia
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|a ƒa Online-Ressource
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|a Date Revised 30.09.2020
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a © 2019 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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|a 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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|a Journal Article
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|a first-principles calculations
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|a pressure
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|a small-molecule organic semiconductors
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|a thermoelectric materials
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| 700 |
1 |
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|a Deng, Tianqi
|e verfasserin
|4 aut
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1 |
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|a Wu, Gang
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Hippalgaonkar, Kedar
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Wang, Jian-Sheng
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Yang, Shuo-Wang
|e verfasserin
|4 aut
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| 773 |
0 |
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|i Enthalten in
|t Advanced materials (Deerfield Beach, Fla.)
|d 1998
|g 31(2019), 36 vom: 26. Sept., Seite e1901956
|w (DE-627)NLM098206397
|x 1521-4095
|7 nnns
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| 773 |
1 |
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|g volume:31
|g year:2019
|g number:36
|g day:26
|g month:09
|g pages:e1901956
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| 856 |
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|u http://dx.doi.org/10.1002/adma.201901956
|3 Volltext
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