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arXiv · 2206.02370

Strain-induced thermoelectricity in pentacene

Kallol Mondal·Sudin Ganguly·Santanu K. Maiti
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Abstract

The present work discusses a non-synthetic strategy to achieve a favorable thermoelectric response in pentacene via strain. It is found that a uni-axial strain is capable of inducing spatial anisotropy in the molecule. As a result, the transmission spectrum becomes highly asymmetric under a particular strained scenario, which is the primary requirement to get a favorable thermoelectric response. Different thermoelectric quantities are computed for the strain-induced pentacene using Green's function formalism following the Landauer-Buttiker prescription. Various scenarios are considered to make the present work more realistic, such as the effects of substrate, coupling strength between the molecule and electrodes, dangling bonds, etc. Such a scheme to enhance the thermoelectric performance in pentacene is technologically intriguing and completely new to the best of our knowledge.

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Kallol Mondal, Sudin Ganguly, Santanu K. Maiti. 2022-06-06. Strain-induced thermoelectricity in pentacene. https://doi.org/10.1039/d2cp02523j

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