About this Research Topic

Abstract Submission Deadline 30 October 2022
Manuscript Submission Deadline 29 December 2022

In recent years, molecular-scale materials provide a versatile platform to explore novel quantum effects and are considered as promising candidates for thermoelectric devices, electronic transistors. Compared with bulk materials, molecular devices contribute to a unique platform to explore the intrinsic ...

In recent years, molecular-scale materials provide a versatile platform to explore novel quantum effects and are considered as promising candidates for thermoelectric devices, electronic transistors. Compared with bulk materials, molecular devices contribute to a unique platform to explore the intrinsic properties and quantum phenomena of materials at the atomic/molecular level, laying a scientific foundation for the creation of new functional electronic, optoelectronic, spintronic, thermoelectric devices that can be used in many areas.



Theoretically understanding how phonon, electron, and spin transport in such small scales materials and devices is critical to explore exotic thermal and electronic transport mechanism, and it is expected to significantly promote the designation of novel nanodevices. We invite prospective authors to submit the original theoretical research on the theoretical methods, novel transport mechanism and stability of novel molecular-scale materials and devices. These molecular materials include but are not limited to conjugated molecules, magnetic molecules, highly insulating molecules, and other exotic molecular materials.



In this Research Topic, high-quality Original Research and Review articles on the following areas (but not restricted to) are welcome.



• Electronic and thermoelectric transport properties of molecular scale materials

• Vibrational energy transfer and thermoelectric conversion of molecular systems

• Quantum effect in molecular junctions

• Transport properties of magnetic molecular junctions

• Theoretical study on stability and feasibility of novel molecular devices

• Study on theoretical method for molecular-scale materials simulation

• Novel theory-driven research opening new directions in molecular devices

• Other related aspects

Keywords: molecular-scale materials, thermoelectric conversion, molecular devices, electron transport, thermal transport, molecular junctions


Important Note: All contributions to this Research Topic must be within the scope of the section and journal to which they are submitted, as defined in their mission statements. Frontiers reserves the right to guide an out-of-scope manuscript to a more suitable section or journal at any stage of peer review.

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