Quantum interference features and thermoelectric properties of macrocyclic-single molecules: theoretical and modelling investigation

2024/01/01 by Sarah Hussein Halboos, Oday A. Al‐Owaedi, Enas M. Al-Robayi · 1 voice · 1 citation
Engineering · Physics and Astronomy · Materials Science · #Molecular Junctions and Nanostructures #Spectroscopy and Quantum Chemical Studies #Advanced Thermoelectric Materials and Devices

paper · pdf · doi:10.1039/d4na00541d

openalex publication_date 2024/01/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/02

Abstract

Cycloparaphenylene molecules not only represent a promising host to examine quantum phenomena but also offer distinct electric and thermoelectric properties to explore new designs and features of thermoelectric materials.

Citations

• Density-functional thermochemistry. III. The role of exact exchange
• Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields

Cited by

• Thermoelectric signature of d-orbitals in tripod-based molecular junctions

Discussions

• Cycloparaphenylene molecules not only represent a promising host to examine the quantum phenomena but also offer distinct electric and thermoelectric properties, making them a perfect target to explor [bsky, 1 points, 0 comments]

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