Special Issue "Molecular Electronics: Challenges and Opportunities"

A special issue of Nanomaterials (ISSN 2079-4991). This special issue belongs to the section "Nanoelectronics, Nanosensors and Devices".

Deadline for manuscript submissions: closed (31 December 2021) | Viewed by 3555

Special Issue Editor

Dr. Hatef Sadeghi
E-Mail Website
Guest Editor
School of Engineering, University of Warwick, Coventry CV4 7AL, UK
Interests: theory of electron, phonon, and spin transport in nanoscale quantum devices; quantum and phonon interference; thermoelectricity; piezoelectricity; molecular sensing; spintronic and optoelectronics in single molecules; self-assembled monolayers; two dimensional materials; van der Waals heterostructures and nanoribbons
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Special Issue Information

Dear Colleagues,

Molecular materials are attractive for a new generation of quantum nanodevices operating at room temperature due to their unique electronic, optical, vibrational, and chemical properties. Advances in experimental and theoretical techniques over the past decade have made it possible to study transport properties down to a few nanometre scales and to understand the quantum phenomena that determine their properties. This opens up enormous possibilities for the design of new nanoscale devices using molecular structures. However, there are still challenges to be overcome.

In this Special Edition, we would like to invite you to submit an original research paper or review article on the latest developments in the field of molecular electronics in your group and beyond. This is an opportunity to revisit the opportunities that molecular electronics bring and the challenges that need to be overcome.

Dr. Hatef Sadeghi
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Nanomaterials is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2400 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • Quantum, phonon, photon, and spin transport
  • Environmental and dephasing effects
  • Quantum interference
  • Thermoelectricity
  • Biological sensing
  • Molecular spintronic
  • Optoelectronics
  • Piezoelectricty
  • Single molecules
  • Self-assembled monolayers
  • Molecular nanoribbons

Published Papers (2 papers)

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Research

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Article
Constrained DFT for Molecular Junctions
Nanomaterials 2022, 12(7), 1234; https://doi.org/10.3390/nano12071234 - 06 Apr 2022
Viewed by 895
Abstract
We have explored the use of constrained density functional theory (cDFT) for molecular junctions based on benzenediamine. By elongating the junction, we observe that the energy gap between the ionization potential and the electronic affinity increases with the stretching distance. This is consistent [...] Read more.
We have explored the use of constrained density functional theory (cDFT) for molecular junctions based on benzenediamine. By elongating the junction, we observe that the energy gap between the ionization potential and the electronic affinity increases with the stretching distance. This is consistent with the trend expected from the electrostatic screening. A more detailed analysis shows how this influences the charge distribution of both the individual metal layers and the molecular atoms. Overall, our work shows that constrained DFT is a powerful tool for studying screening effects in molecular junctions. Full article
(This article belongs to the Special Issue Molecular Electronics: Challenges and Opportunities)
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Review

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Review
Light-Driven Charge Transport and Optical Sensing in Molecular Junctions
Nanomaterials 2022, 12(4), 698; https://doi.org/10.3390/nano12040698 - 19 Feb 2022
Cited by 3 | Viewed by 2226
Abstract
Probing charge and energy transport in molecular junctions (MJs) has not only enabled a fundamental understanding of quantum transport at the atomic and molecular scale, but it also holds significant promise for the development of molecular-scale electronic devices. Recent years have witnessed a [...] Read more.
Probing charge and energy transport in molecular junctions (MJs) has not only enabled a fundamental understanding of quantum transport at the atomic and molecular scale, but it also holds significant promise for the development of molecular-scale electronic devices. Recent years have witnessed a rapidly growing interest in understanding light-matter interactions in illuminated MJs. These studies have profoundly deepened our knowledge of the structure–property relations of various molecular materials and paved critical pathways towards utilizing single molecules in future optoelectronics applications. In this article, we survey recent progress in investigating light-driven charge transport in MJs, including junctions composed of a single molecule and self-assembled monolayers (SAMs) of molecules, and new opportunities in optical sensing at the single-molecule level. We focus our attention on describing the experimental design, key phenomena, and the underlying mechanisms. Specifically, topics presented include light-assisted charge transport, photoswitch, and photoemission in MJs. Emerging Raman sensing in MJs is also discussed. Finally, outstanding challenges are explored, and future perspectives in the field are provided. Full article
(This article belongs to the Special Issue Molecular Electronics: Challenges and Opportunities)
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