Unprecedented Enhancement of Thermoelectric Power Factor Induced by Pressure in Small-Molecule Organic Semiconductors

Page view(s)
1
Checked on Apr 03, 2022
Unprecedented Enhancement of Thermoelectric Power Factor Induced by Pressure in Small-Molecule Organic Semiconductors
Title:
Unprecedented Enhancement of Thermoelectric Power Factor Induced by Pressure in Small-Molecule Organic Semiconductors
Other Titles:
Advanced Materials
Keywords:
Publication Date:
26 July 2019
Citation:
Shi, W., Deng, T., Wu, G., Hippalgaonkar, K., Wang, J.‐S., Yang, S.‐W., Unprecedented Enhancement of Thermoelectric Power Factor Induced by Pressure in Small‐Molecule Organic Semiconductors. Adv. Mater. 2019, 31, 1901956. https://doi.org/10.1002/adma.201901956
Abstract:
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 latticevibration-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.
License type:
PublisherCopyrights
Funding Info:
This work was supported by the Agency for Science, Technology and Research (A*STAR) of Singapore (1527200024). Computational resources are provided by the National Supercomputing Centre Singapore (NSCC) and A*STAR Computational Resource Centre (A*CRC).
Description:
This is the peer reviewed version of the following article: Shi, W., Deng, T., Wu, G., Hippalgaonkar, K., Wang, J.‐S., Yang, S.‐W., Unprecedented Enhancement of Thermoelectric Power Factor Induced by Pressure in Small‐Molecule Organic Semiconductors. Adv. Mater. 2019, 31, 1901956. https://doi.org/10.1002/adma.201901956, which has been published in final form at https://doi.org/10.1002/adma.201901956. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Use of Self-Archived Versions.
ISSN:
0935-9648
1521-4095
Files uploaded:

Files uploaded:

File Size Format Action
manuscript-non-highlighted.pdf 1.24 MB PDF Open