Eur. Phys. J. Plus (2022) 137: 553
https://doi.org/10.1140/epjp/s13360-022-02732-5

Regular Article

Thermoelectric phenomena of the molecular structure of a Thiolated Arylethynylene with a 9,10-Dihydroanthracene (AH) core

¹ Grupo de Física de Materiales, Facultad de Ciencias, Universidad Pedagógica y Tecnológica de Colombia, 150003, Tunja, Boyacá, Colombia
² Laboratorio de Química Teórica y Computacional, Grupo de Investigación Química-Física Molecular y Modelamiento Computacional (QUIMOL), Facultad de Ciencias, Universidad Pedagógica y Tecnológica de Colombia, 150003, Tunja, Boyacá, Colombia
³ Instituto de Alta Investigación, CEDENNA, Universidad de Tarapacá, Casilla 7D, Arica, Chile
⁴ Physics and Applied Mathematics Unit, Indian Statistical Institute, 203 Barrackpore Trunk Road, 700 108, Kolkata, India

^a judith.ojeda@uptc.edu.co

Received: 17 December 2021
Accepted: 16 April 2022
Published online: 5 May 2022

Abstract

Thermoelectric properties of the Thiolated Arylethynylene with a 9,10-Dihydroanthracene core molecular system, which consists of a finite homogeneous chain of benzene rings connected to two semi-infinite contacts, are investigated. The study is based on the strong bonding approach to first neighbors, using semi-analytical methods of Green’s function techniques within a real space renormalization group scheme. The thermoelectric quantities like electrical conductance, thermal conductance, Seebeck coefficient, and figure of merit are determined in terms of molecule-to-electrode coupling, voltage bias as well as temperature. The obtained results show that such a molecular system can be utilized as an efficient energy converter from heat energy to usable electric energy. Our analysis can be extended to other simple and more complex molecular systems possessing loop sub-structures for designing thermoelectric devices.