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Intermolecular coupling enhanced thermopower in single- molecule diketopyrrolopyrrole junctions

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Intermolecular coupling enhanced thermopower in single- molecule diketopyrrolopyrrole junctions. / Fang, Chao; Almughathawi, Renad; Wu, Qingqing et al.
In: National Science Open, Vol. 2, No. 1, 20220039, 31.01.2023.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Harvard

Fang, C, Almughathawi, R, Wu, Q, Cao, W, Chen, H, Hou, S, Gu, Y, Zhang, H, Zhao, Y, Zheng, J, Li, G, Shi, J, Liu, J, Mao, B-W, Liu, Z, Lambert, C & Hong, W 2023, 'Intermolecular coupling enhanced thermopower in single- molecule diketopyrrolopyrrole junctions', National Science Open, vol. 2, no. 1, 20220039. https://doi.org/10.1360/nso/20220039

APA

Fang, C., Almughathawi, R., Wu, Q., Cao, W., Chen, H., Hou, S., Gu, Y., Zhang, H., Zhao, Y., Zheng, J., Li, G., Shi, J., Liu, J., Mao, B-W., Liu, Z., Lambert, C., & Hong, W. (2023). Intermolecular coupling enhanced thermopower in single- molecule diketopyrrolopyrrole junctions. National Science Open, 2(1), Article 20220039. https://doi.org/10.1360/nso/20220039

Vancouver

Fang C, Almughathawi R, Wu Q, Cao W, Chen H, Hou S et al. Intermolecular coupling enhanced thermopower in single- molecule diketopyrrolopyrrole junctions. National Science Open. 2023 Jan 31;2(1):20220039. Epub 2022 Dec 28. doi: 10.1360/nso/20220039

Author

Fang, Chao ; Almughathawi, Renad ; Wu, Qingqing et al. / Intermolecular coupling enhanced thermopower in single- molecule diketopyrrolopyrrole junctions. In: National Science Open. 2023 ; Vol. 2, No. 1.

Bibtex

@article{255fbde500c4499a92b68c187e7f4b5f,
title = "Intermolecular coupling enhanced thermopower in single- molecule diketopyrrolopyrrole junctions",
abstract = "Sorting out organic molecules with high thermopower is essential for understanding molecular thermoelectrics. The intermolecular coupling offers a unique chance to enhance the thermopower by tuning the bandgap structure of molecular devices, but the investigation of intermolecular coupling in bulk materials remains challenging. Herein, we investigated the thermopower of diketopyrrolopyrrole (DPP) cored single-molecule junctions with different coupling strengths by varying the packing density of the self-assembled monolayers (SAM) using a customized scanning tunneling microscope break junction (STM-BJ) technique. We found that the thermopower of DPP molecules could be enhanced up to one order of magnitude with increasing packing density, suggesting that the thermopower increases with larger neighboring intermolecular interactions. The combined density functional theory (DFT) calculations revealed that the closely-packed configuration brings stronger intermolecular coupling and then reduces the highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) gap, leading to an enhanced thermopower. Our findings offer a new strategy for developing organic thermoelectric devices with high thermopower.",
author = "Chao Fang and Renad Almughathawi and Qingqing Wu and Wenqiang Cao and Hang Chen and Songjun Hou and Yu Gu and Hewei Zhang and Yi Zhao and Jueting Zheng and Guopeng Li and Jia Shi and Junyang Liu and Bing-Wei Mao and Zitong Liu and Colin Lambert and Wenjing Hong",
year = "2023",
month = jan,
day = "31",
doi = "10.1360/nso/20220039",
language = "English",
volume = "2",
journal = "National Science Open",
number = "1",

}

RIS

TY - JOUR

T1 - Intermolecular coupling enhanced thermopower in single- molecule diketopyrrolopyrrole junctions

AU - Fang, Chao

AU - Almughathawi, Renad

AU - Wu, Qingqing

AU - Cao, Wenqiang

AU - Chen, Hang

AU - Hou, Songjun

AU - Gu, Yu

AU - Zhang, Hewei

AU - Zhao, Yi

AU - Zheng, Jueting

AU - Li, Guopeng

AU - Shi, Jia

AU - Liu, Junyang

AU - Mao, Bing-Wei

AU - Liu, Zitong

AU - Lambert, Colin

AU - Hong, Wenjing

PY - 2023/1/31

Y1 - 2023/1/31

N2 - Sorting out organic molecules with high thermopower is essential for understanding molecular thermoelectrics. The intermolecular coupling offers a unique chance to enhance the thermopower by tuning the bandgap structure of molecular devices, but the investigation of intermolecular coupling in bulk materials remains challenging. Herein, we investigated the thermopower of diketopyrrolopyrrole (DPP) cored single-molecule junctions with different coupling strengths by varying the packing density of the self-assembled monolayers (SAM) using a customized scanning tunneling microscope break junction (STM-BJ) technique. We found that the thermopower of DPP molecules could be enhanced up to one order of magnitude with increasing packing density, suggesting that the thermopower increases with larger neighboring intermolecular interactions. The combined density functional theory (DFT) calculations revealed that the closely-packed configuration brings stronger intermolecular coupling and then reduces the highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) gap, leading to an enhanced thermopower. Our findings offer a new strategy for developing organic thermoelectric devices with high thermopower.

AB - Sorting out organic molecules with high thermopower is essential for understanding molecular thermoelectrics. The intermolecular coupling offers a unique chance to enhance the thermopower by tuning the bandgap structure of molecular devices, but the investigation of intermolecular coupling in bulk materials remains challenging. Herein, we investigated the thermopower of diketopyrrolopyrrole (DPP) cored single-molecule junctions with different coupling strengths by varying the packing density of the self-assembled monolayers (SAM) using a customized scanning tunneling microscope break junction (STM-BJ) technique. We found that the thermopower of DPP molecules could be enhanced up to one order of magnitude with increasing packing density, suggesting that the thermopower increases with larger neighboring intermolecular interactions. The combined density functional theory (DFT) calculations revealed that the closely-packed configuration brings stronger intermolecular coupling and then reduces the highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) gap, leading to an enhanced thermopower. Our findings offer a new strategy for developing organic thermoelectric devices with high thermopower.

U2 - 10.1360/nso/20220039

DO - 10.1360/nso/20220039

M3 - Journal article

VL - 2

JO - National Science Open

JF - National Science Open

IS - 1

M1 - 20220039

ER -