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Orientational Effects and Molecular-Scale Thermoelectricity Control

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

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Orientational Effects and Molecular-Scale Thermoelectricity Control. / Alotaibi, Turki; Alshahrani, Maryam; Alshammari, Majed et al.
In: ACS Omega, Vol. 9, No. 27, 09.07.2024, p. 29537-29543.

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

Harvard

Alotaibi, T, Alshahrani, M, Alshammari, M, Alotaibi, M, Taha, TAM, Al-Jobory, AA & Ismael, A 2024, 'Orientational Effects and Molecular-Scale Thermoelectricity Control', ACS Omega, vol. 9, no. 27, pp. 29537-29543. https://doi.org/10.1021/acsomega.4c02141

APA

Alotaibi, T., Alshahrani, M., Alshammari, M., Alotaibi, M., Taha, T. A. M., Al-Jobory, A. A., & Ismael, A. (2024). Orientational Effects and Molecular-Scale Thermoelectricity Control. ACS Omega, 9(27), 29537-29543. https://doi.org/10.1021/acsomega.4c02141

Vancouver

Alotaibi T, Alshahrani M, Alshammari M, Alotaibi M, Taha TAM, Al-Jobory AA et al. Orientational Effects and Molecular-Scale Thermoelectricity Control. ACS Omega. 2024 Jul 9;9(27):29537-29543. Epub 2024 Jun 26. doi: 10.1021/acsomega.4c02141

Author

Alotaibi, Turki ; Alshahrani, Maryam ; Alshammari, Majed et al. / Orientational Effects and Molecular-Scale Thermoelectricity Control. In: ACS Omega. 2024 ; Vol. 9, No. 27. pp. 29537-29543.

Bibtex

@article{e5494857f1d5405d912524a7e7a0597b,
title = "Orientational Effects and Molecular-Scale Thermoelectricity Control",
abstract = "The orientational effect concept in a molecular-scale junction is established for asymmetric junctions, which requires the fulfillment of two conditions: (1) design of an asymmetric molecule with strong distinct terminal end groups and (2) construction of a doubly asymmetric junction by placing an asymmetric molecule in an asymmetric junction to form a multicomponent system such as Au/Zn-TPP+M/Au. Here, we demonstrate that molecular-scale junctions that satisfy the conditions of these effects can manifest Seebeck coefficients whose sign fluctuates depending on the orientation of the molecule within the asymmetric junction in a complete theoretical investigation. Three anthracene-based compounds are investigated in three different scenarios, one of which displays a bithermoelectric behavior due to the presence of strong anchor groups, including pyridyl and thioacetate. This bithermoelectricity demonstration implies that if molecules with alternating orientations can be placed between an asymmetric source and drain, they can be potentially utilized for increasing the thermovoltage in molecular-scale thermoelectric energy generators (TEGs).",
author = "Turki Alotaibi and Maryam Alshahrani and Majed Alshammari and Moteb Alotaibi and Taha, {Taha Abdel Mohaymen} and Al-Jobory, {Alaa A.} and Ali Ismael",
year = "2024",
month = jul,
day = "9",
doi = "10.1021/acsomega.4c02141",
language = "English",
volume = "9",
pages = "29537--29543",
journal = "ACS Omega",
issn = "2470-1343",
publisher = "American Chemical Society",
number = "27",

}

RIS

TY - JOUR

T1 - Orientational Effects and Molecular-Scale Thermoelectricity Control

AU - Alotaibi, Turki

AU - Alshahrani, Maryam

AU - Alshammari, Majed

AU - Alotaibi, Moteb

AU - Taha, Taha Abdel Mohaymen

AU - Al-Jobory, Alaa A.

AU - Ismael, Ali

PY - 2024/7/9

Y1 - 2024/7/9

N2 - The orientational effect concept in a molecular-scale junction is established for asymmetric junctions, which requires the fulfillment of two conditions: (1) design of an asymmetric molecule with strong distinct terminal end groups and (2) construction of a doubly asymmetric junction by placing an asymmetric molecule in an asymmetric junction to form a multicomponent system such as Au/Zn-TPP+M/Au. Here, we demonstrate that molecular-scale junctions that satisfy the conditions of these effects can manifest Seebeck coefficients whose sign fluctuates depending on the orientation of the molecule within the asymmetric junction in a complete theoretical investigation. Three anthracene-based compounds are investigated in three different scenarios, one of which displays a bithermoelectric behavior due to the presence of strong anchor groups, including pyridyl and thioacetate. This bithermoelectricity demonstration implies that if molecules with alternating orientations can be placed between an asymmetric source and drain, they can be potentially utilized for increasing the thermovoltage in molecular-scale thermoelectric energy generators (TEGs).

AB - The orientational effect concept in a molecular-scale junction is established for asymmetric junctions, which requires the fulfillment of two conditions: (1) design of an asymmetric molecule with strong distinct terminal end groups and (2) construction of a doubly asymmetric junction by placing an asymmetric molecule in an asymmetric junction to form a multicomponent system such as Au/Zn-TPP+M/Au. Here, we demonstrate that molecular-scale junctions that satisfy the conditions of these effects can manifest Seebeck coefficients whose sign fluctuates depending on the orientation of the molecule within the asymmetric junction in a complete theoretical investigation. Three anthracene-based compounds are investigated in three different scenarios, one of which displays a bithermoelectric behavior due to the presence of strong anchor groups, including pyridyl and thioacetate. This bithermoelectricity demonstration implies that if molecules with alternating orientations can be placed between an asymmetric source and drain, they can be potentially utilized for increasing the thermovoltage in molecular-scale thermoelectric energy generators (TEGs).

U2 - 10.1021/acsomega.4c02141

DO - 10.1021/acsomega.4c02141

M3 - Journal article

VL - 9

SP - 29537

EP - 29543

JO - ACS Omega

JF - ACS Omega

SN - 2470-1343

IS - 27

ER -