Final published version
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Research output: Contribution to Journal/Magazine › Journal article › peer-review
Research output: Contribution to Journal/Magazine › Journal article › peer-review
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TY - JOUR
T1 - Orientational control of molecular scale thermoelectricity
AU - Alshammari, Majed
AU - Al-Jobory, Alaa
AU - Alotaibi, Turki
AU - Lambert, Colin
AU - Ismael, Ali
PY - 2022/10/25
Y1 - 2022/10/25
N2 - Through a comprehensive theoretical study, we demonstrate that single-molecule junctions formed from asymmetric molecules with different terminal groups can exhibit Seebeck coefficients, whose sign depends on the orientation of the molecule within the junction. Three anthracene-based molecules are studied, one of which exhibits this bi-thermoelectric behaviour, due to the presence of a thioacetate terminal group at one end and a pyridyl terminal group at the other. A pre-requisite for obtaining this behaviour is the use of junction electrodes formed from different materials. In our case, we use gold as the bottom electrode and graphene-coated gold as the top electrode. This demonstration of bi-thermoelecricity means that if molecules with alternating orientations can be deposited on a substrate, then they form a basis for boosting the thermovoltage in molecular-scale thermoelectric energy generators (TEGs).
AB - Through a comprehensive theoretical study, we demonstrate that single-molecule junctions formed from asymmetric molecules with different terminal groups can exhibit Seebeck coefficients, whose sign depends on the orientation of the molecule within the junction. Three anthracene-based molecules are studied, one of which exhibits this bi-thermoelectric behaviour, due to the presence of a thioacetate terminal group at one end and a pyridyl terminal group at the other. A pre-requisite for obtaining this behaviour is the use of junction electrodes formed from different materials. In our case, we use gold as the bottom electrode and graphene-coated gold as the top electrode. This demonstration of bi-thermoelecricity means that if molecules with alternating orientations can be deposited on a substrate, then they form a basis for boosting the thermovoltage in molecular-scale thermoelectric energy generators (TEGs).
U2 - 10.1039/D2NA00515H
DO - 10.1039/D2NA00515H
M3 - Journal article
C2 - 36341305
VL - 4
SP - 4635
EP - 4638
JO - Nanoscale Advances
JF - Nanoscale Advances
SN - 2516-0230
IS - 21
ER -