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(Bio)Molecular Electronics: Insights and Challenges
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(Bio)Molecular Electronics: Insights and Challenges

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Physical Chemistry and Chemical Physics".

Deadline for manuscript submissions: closed (28 February 2023) | Viewed by 6734

Special Issue Editor

Dr. Ioan Baldea

E-Mail Website
Guest Editor
Theoretical Chemsitry, Heidelberg University, INF 229, D-69120 Heidelberg, Germany
Interests: theoretical physics and chemistry; molecular electronics; electrochemistry; astrophysics and astrochemistry; pharmaceutical chemistry; antioxidation
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Molecular electronics, an emerging research field at the border of physics, chemistry and material sciences, continues to represent a fascinating field of nanoscience and nanotechnology. Molecular electronic devices combine the atomic control of the molecular structure with sophisticated nanofabrication techniques to sandwich individual molecules between tiny electrodes. With their unlimited atomic-scale architecture, molecules offer an immense potential for tailoring electronic function. Recently, a variety of (bio-)molecule-based devices extensively and intensively investigated in joint experimental and theoretical efforts revealed unique mechanical, (bio-)electronic, optical, and thermal properties. Nevertheless, uncovering rules on how to design functional molecules to fabricate molecular junctions with desired electrical behavior remains an important challenge; understanding how structure predicts function forms the basis of rational design. Developing rational, imaginative design strategies that boost performance is undoubtedly an important task for the years to come.

The present Special Issue on “(Bio)Molecular Eletronics: Insights and Challenges” aims to cover major experimental and theoretical contributions, as well as discuss novel fundamental concepts of integrating molecular functionalities into nanoelectronic circuits that are able to supersede the basic functions of semiconductor-based microelectronics, e.g., current rectification or reversible (opto)electronic switching.

A dedicated Special Issue on the recent advances in (bio)molecular electronics is of the utmost importance, especially in the present period, marked by unprecedented restrictions caused by the ongoing COVID-19 crisis, which has impeded desirable in-person discussions among scientists belonging to the molecular electronic community. 

Dr. Ioan Baldea
Guest Editor

Manuscript Submission Information

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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. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

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Keywords

  • (bio)molecular electronics
  • (bio)molecular junctions
  • functionalized self-assembled monolayers (SAMs): chemisorption versus physisorption
  • molecular-level structural characterization of self-assembled monolayers
  • structure–function and structure–property relationships between self-assembled monolayers
  • charge transfer and band lineup in molecular electronic devices
  • relationship between growth and structural phase diagram of SAMs
  • functional biomaterials
  • bioproteins
  • charge transport in electrochemical environment
  • molecular devices for life science and biomedical applications
  • elementary processes in SAM formation
  • contact mechanics

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Published Papers (3 papers)

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Research

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18 pages, 4550 KiB  
Article
Neural Network in the Analysis of the MR Signal as an Image Segmentation Tool for the Determination of T1 and T2 Relaxation Times with Application to Cancer Cell Culture
by Adrian Truszkiewicz, Dorota Bartusik-Aebisher, Łukasz Wojtas, Grzegorz Cieślar, Aleksandra Kawczyk-Krupka and David Aebisher
Int. J. Mol. Sci. 2023, 24(2), 1554; https://doi.org/10.3390/ijms24021554 - 13 Jan 2023
Cited by 2 | Viewed by 2022
Abstract
Artificial intelligence has been entering medical research. Today, manufacturers of diagnostic instruments are including algorithms based on neural networks. Neural networks are quickly entering all branches of medical research and beyond. Analyzing the PubMed database from the last 5 years (2017 to 2021), [...] Read more.
Artificial intelligence has been entering medical research. Today, manufacturers of diagnostic instruments are including algorithms based on neural networks. Neural networks are quickly entering all branches of medical research and beyond. Analyzing the PubMed database from the last 5 years (2017 to 2021), we see that the number of responses to the query “neural network in medicine” exceeds 10,500 papers. Deep learning algorithms are of particular importance in oncology. This paper presents the use of neural networks to analyze the magnetic resonance imaging (MRI) images used to determine MRI relaxometry of the samples. Relaxometry is becoming an increasingly common tool in diagnostics. The aim of this work was to optimize the processing time of DICOM images by using a neural network implemented in the MATLAB package by The MathWorks with the patternnet function. The application of a neural network helps to eliminate spaces in which there are no objects with characteristics matching the phenomenon of longitudinal or transverse MRI relaxation. The result of this work is the elimination of aerated spaces in MRI images. The whole algorithm was implemented as an application in the MATLAB package. Full article
(This article belongs to the Special Issue (Bio)Molecular Electronics: Insights and Challenges)
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20 pages, 1731 KiB  
Article
Estimating the Number of Molecules in Molecular Junctions Merely Based on the Low Bias Tunneling Conductance at Variable Temperature
by Ioan Bâldea
Int. J. Mol. Sci. 2022, 23(23), 14985; https://doi.org/10.3390/ijms232314985 - 29 Nov 2022
Cited by 5 | Viewed by 1733
Abstract
Temperature (T) dependent conductance G=G(T) data measured in molecular junctions are routinely taken as evidence for a two-step hopping mechanism. The present paper emphasizes that this is not necessarily the case. A curve of lnG [...] Read more.
Temperature (T) dependent conductance G=G(T) data measured in molecular junctions are routinely taken as evidence for a two-step hopping mechanism. The present paper emphasizes that this is not necessarily the case. A curve of lnG versus 1/T decreasing almost linearly (Arrhenius-like regime) and eventually switching to a nearly horizontal plateau (Sommerfeld regime), or possessing a slope gradually decreasing with increasing 1/T is fully compatible with a single-step tunneling mechanism. The results for the dependence of G on T presented include both analytical exact and accurate approximate formulas and numerical simulations. These theoretical results are general, also in the sense that they are not limited, e.g., to the (single molecule electromigrated (SET) or large area EGaIn) fabrication platforms, which are chosen for exemplification merely in view of the available experimental data needed for analysis. To be specific, we examine in detail transport measurements for molecular junctions based on ferrocene (Fc). As a particularly important finding, we show how the present analytic formulas for G=G(T) can be utilized to compute the ratio f=Aeff/An between the effective and nominal areas of large area Fc-based junctions with an EGaIn top electrode. Our estimate of f≈0.6×10−4 is comparable with previously reported values based on completely different methods for related large area molecular junctions. Full article
(This article belongs to the Special Issue (Bio)Molecular Electronics: Insights and Challenges)
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Review

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19 pages, 3115 KiB  
Review
Effects of Electrode Materials on Electron Transport for Single-Molecule Junctions
by Mong-Wen Gu and Chun-hsien Chen
Int. J. Mol. Sci. 2023, 24(8), 7277; https://doi.org/10.3390/ijms24087277 - 14 Apr 2023
Cited by 1 | Viewed by 2203
Abstract
The contact at the molecule–electrode interface is a key component for a range of molecule-based devices involving electron transport. An electrode–molecule–electrode configuration is a prototypical testbed for quantitatively studying the underlying physical chemistry. Rather than the molecular side of the interface, this review [...] Read more.
The contact at the molecule–electrode interface is a key component for a range of molecule-based devices involving electron transport. An electrode–molecule–electrode configuration is a prototypical testbed for quantitatively studying the underlying physical chemistry. Rather than the molecular side of the interface, this review focuses on examples of electrode materials in the literature. The basic concepts and relevant experimental techniques are introduced. Full article
(This article belongs to the Special Issue (Bio)Molecular Electronics: Insights and Challenges)
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