Effect of electron-phonon interaction on thermoelectric properties of a DNA molecule.

J Chem Phys

Departamento de Física, Universidad Técnica Federico Santa María, Campus San Joaquín, Santiago, Chile.

Published: June 2025


Category Ranking

98%

Total Visits

921

Avg Visit Duration

2 minutes

Citations

20

Article Abstract

We investigate the thermoelectric properties of a DNA molecule situated between semi-infinite contacts, taking into account the effects of decoherence. To represent the DNA molecule, we use two models: the fishbone model and the ladder model. Our approach employs a tight-binding method that utilizes Green's function technique, as well as real-space renormalization and polaron transformation methods. We calculate the transmission probability using the Landauer-Büttiker formalism and analyze the thermoelectric properties of the DNA molecular system. We calculate the electrical conductance, thermal conductance, the Seebeck coefficient, the figure of merit, and the Lorenz number, all while considering the effects of decoherence. This study provides insights into understanding inelastic effects in nanoscopic molecular systems.

Download full-text PDF

Source
http://dx.doi.org/10.1063/5.0266771DOI Listing

Publication Analysis

Top Keywords

thermoelectric properties
12
properties dna
12
dna molecule
12
effects decoherence
8
electron-phonon interaction
4
interaction thermoelectric
4
dna
4
molecule investigate
4
investigate thermoelectric
4
molecule situated
4

Similar Publications

Thermoelectric technology has significant applications in waste heat harvesting and temperature control of electronic devices. PbS has long been seen as a robust candidate for large-scale thermoelectric applications due to its low cost and high mechanical strength. However, the low ZT near room temperature hinders its further application.

View Article and Find Full Text PDF

Van der Waals (vdW) layered materials have gained significant attention owing to their distinctive structure and unique properties. The weak interlayer bonding in vdW layered materials enables guest atom intercalation, allowing precise tuning of their physical and chemical properties. In this work, a ternary compound, NiInSe (x = 0-0.

View Article and Find Full Text PDF

Thermal conductivity of selenium crystals based on machine learning potentials.

Phys Chem Chem Phys

September 2025

State Key Laboratory of Materials for Integrated Circuits, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050, China.

Selenium, as an important semiconductor material, exhibits significant potential for understanding lattice dynamics and thermoelectric applications through its thermal transport properties. Conventional empirical potentials are often unable to accurately describe the phonon transport properties of selenium crystals, which limits in-depth understanding of their thermal conduction mechanisms. To address this issue, this study developed a high-precision machine learning potential (MLP), with training datasets generated molecular dynamics simulations.

View Article and Find Full Text PDF

With the rapid development of precision medicine and the continuous evolution of smart wearable devices, photothermal materials (PTMs) are experiencing a tremendous opportunity for growth. PTMs can efficiently convert light energy into heat to achieve localized thermal therapy for specific cells or tissues, offering advantages of minimal invasiveness, high selectivity, and precise targeting. Furthermore, PTMs can serve as molecular imaging probes and smart drug carriers, integrating multiple functions such as bioimaging and drug delivery to realize the visualization and controlled release of therapeutic processes.

View Article and Find Full Text PDF

Homo-layer flexible BiTe-based films with high thermoelectric performance.

Sci Adv

September 2025

Department of Physics, State Key Laboratory of Quantum Functional Materials, and Guangdong Basic Research Center of Excellence for Quantum Science, Southern University of Science and Technology, Shenzhen 518055, China.

Here, we demonstrate unconventional scalable and sustainable manufacturing of flexible n-type BiTe films via physical vapor deposition and homo-layer fusion engineering. The achieved ultrahigh power factor of up to 30.0 microwatts per centimeter per square kelvin and ultralow lattice thermal conductivity of 0.

View Article and Find Full Text PDF