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Nanomaterials
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Molecular Interfaces Based Nanotechnology
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Molecular Interfaces Based Nanotechnology

A special issue of Nanomaterials (ISSN 2079-4991). This special issue belongs to the section "Synthesis, Interfaces and Nanostructures".

Deadline for manuscript submissions: closed (9 December 2021) | Viewed by 10395

Special Issue Editor

Dr. Muhammad Bashouti

E-Mail Website
Guest Editor
Environmental Physics and Solar Energy Department, Ben-Gurion University of the Negev, Beer-Sheva 653, Israel
Interests: molecular interfaces; hybrid devices; nanowires; 2D materials; charge transfer; green energy; surface functionalization & characterization
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Molecular dimensions are obviously well beyond the resolution of standard or even state-of-the-art lithographic techniques. This fact means that, in order to fabricate true nanoscale molecular electronics circuits, the molecules themselves represent just one part of the game (1st cycle). Another aspect involves coming up with fabrication methodologies for nanoscale construction that do not rely on lithographic processing. The only obvious alternative is chemical assembly by chemical reaction at the nanoscale, and its use in electronic manufacture opens up a third set of issues, namely, which molecules and materials are consistent with both chemical assembly and electronic circuitry? How the energy can be transferred from the molecule to the nanomaterial (2 cycle)? Finally, it is necessary to interface whatever nanoscale architectures are fabricated with the outside world, indicating the need for some structure that can interface (or multiplex) large numbers of molecular electronics devices with small numbers of wires (3 cycle). This component of the molecular optoelectronic circuit represents serious and fundamental scientific challenges, to the extent that the collective task appears daunting indeed. As with any chemical problem, it is important to know what to make, and so we will first rationalize our approach to devices within the context of molecular surfaces.

Assist. Prof. Dr. Muhammad Bashouti
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 2900 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

  • Molecular Interfaces
  • Surface functionalization
  • Hybrid devices
  • Si Nanowires
  • Charge transfer

Published Papers (4 papers)

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Research

12 pages, 5341 KiB  
Article
Ab Initio Study of Octane Moiety Adsorption on H- and Cl-Functionalized Silicon Nanowires
by Barbara Ferrucci, Francesco Buonocore, Simone Giusepponi, Awad Shalabny, Muhammad Y. Bashouti and Massimo Celino
Nanomaterials 2022, 12(9), 1590; https://doi.org/10.3390/nano12091590 - 07 May 2022
Cited by 3 | Viewed by 1555
Abstract
Using first-principles calculations based on density functional theory, we investigated the effects of surface functionalization on the energetic and electronic properties of hydrogenated and chlorinated silicon nanowires oriented along the <112> direction. We show that the band structure is strongly influenced by the [...] Read more.
Using first-principles calculations based on density functional theory, we investigated the effects of surface functionalization on the energetic and electronic properties of hydrogenated and chlorinated silicon nanowires oriented along the <112> direction. We show that the band structure is strongly influenced by the diameter of the nanowire, while substantial variations in the formation energy are observed by changing the passivation species. We modeled an octane moiety absorption on the (111) and (110) surface of the silicon nanowire to address the effects on the electronic structure of the chlorinated and hydrogenated systems. We found that the moiety does not substantially affect the electronic properties of the investigated systems. Indeed, the states localized on the molecules are embedded into the valence and conduction bands, with no generation of intragap energy levels and moderated change in the band gap. Therefore, Si-C bonds can enhance protection of the hydrogenated and chlorinated nanowire surfaces against oxidation without substantial modification of the electronic properties. However, we calculated a significant charge transfer from the silicon nanowires to the octane moiety. Full article
(This article belongs to the Special Issue Molecular Interfaces Based Nanotechnology)
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14 pages, 3703 KiB  
Article
Binding Capabilities of Different Genetically Engineered pVIII Proteins of the Filamentous M13/Fd Virus and Single-Walled Carbon Nanotubes
by Amro Sweedan, Yachin Cohen, Sima Yaron and Muhammad Y. Bashouti
Nanomaterials 2022, 12(3), 398; https://doi.org/10.3390/nano12030398 - 26 Jan 2022
Cited by 6 | Viewed by 2322
Abstract
Binding functional biomolecules to non-biological materials, such as single-walled carbon nanotubes (SWNTs), is a challenging task with relevance for different applications. However, no one has yet undertaken a comparison of the binding of SWNTs to different recombinant filamentous viruses (phages) bioengineered to contain [...] Read more.
Binding functional biomolecules to non-biological materials, such as single-walled carbon nanotubes (SWNTs), is a challenging task with relevance for different applications. However, no one has yet undertaken a comparison of the binding of SWNTs to different recombinant filamentous viruses (phages) bioengineered to contain different binding peptides fused to the virus coat proteins. This is important due to the range of possible binding efficiencies and scenarios that may arise when the protein’s amino acid sequence is modified, since the peptides may alter the virus’s biological properties or they may behave differently when they are in the context of being displayed on the virus coat protein; in addition, non-engineered viruses may non-specifically adsorb to SWNTs. To test these possibilities, we used four recombinant phage templates and the wild type. In the first circumstance, we observed different binding capabilities and biological functional alterations; e.g., some peptides, in the context of viral templates, did not bind to SWNTs, although it was proven that the bare peptide did. The second circumstance was excluded, as the wild-type virus was found to hardly bind to the SWNTs. These results may be relevant to the possible use of the virus as a “SWNT shuttle” in nano-scale self-assembly, particularly since the pIII proteins are free to act as binding-directing agents. Therefore, knowledge of the differences between and efficiencies of SWNT binding templates may help in choosing better binding phages or peptides for possible future applications and industrial mass production. Full article
(This article belongs to the Special Issue Molecular Interfaces Based Nanotechnology)
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14 pages, 3980 KiB  
Article
A New Interaction Force Model of Gold Nanorods Derived by Molecular Dynamics Simulation
by Pan Yang, Qinghua Zeng, Kejun Dong, Haiping Zhu and Aibing Yu
Nanomaterials 2020, 10(7), 1293; https://doi.org/10.3390/nano10071293 - 01 Jul 2020
Cited by 1 | Viewed by 2374
Abstract
Interactions between nanoparticles is one of the key factors governing their assembly for ordered structures. Understanding such interactions between non-spherical nanoparticles and developing a quantitative force model are critical to achieving the ordered structures for various applications. In the present study, the non-contact [...] Read more.
Interactions between nanoparticles is one of the key factors governing their assembly for ordered structures. Understanding such interactions between non-spherical nanoparticles and developing a quantitative force model are critical to achieving the ordered structures for various applications. In the present study, the non-contact interactions of two identical gold nanorods (AuNRs) with different aspect ratios have been studied by molecular dynamics simulation. A new interaction potential and force model for two nanorods approaching side-by-side has been proposed as a function of particle surface separation and their relative orientation. In addition, the interaction potentials of two nanorods approaching in other typical orientation configurations (i.e., crossed, head-to-head and head-to-side) have also been investigated. Full article
(This article belongs to the Special Issue Molecular Interfaces Based Nanotechnology)
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10 pages, 1643 KiB  
Article
Facile Synthesis of Core-Shell Structured SiO2@Carbon Composite Nanorods for High-Performance Lithium-Ion Batteries
by Haibo Pang, Weicai Zhang, Peifeng Yu, Ning Pan, Hang Hu, Mingtao Zheng, Yong Xiao, Yingliang Liu and Yeru Liang
Nanomaterials 2020, 10(3), 513; https://doi.org/10.3390/nano10030513 - 12 Mar 2020
Cited by 18 | Viewed by 3368
Abstract
Recently, SiO2 has attracted wide attention in lithium-ion batteries owing to its high theoretical capacity and low cost. However, the utilization of SiO2 is impeded by the enormous volume expansion and low electric conductivity. Although constructing SiO2/carbon composite can [...] Read more.
Recently, SiO2 has attracted wide attention in lithium-ion batteries owing to its high theoretical capacity and low cost. However, the utilization of SiO2 is impeded by the enormous volume expansion and low electric conductivity. Although constructing SiO2/carbon composite can significantly enhance the electrochemical performance, the skillful preparation of the well-defined SiO2/carbon composite is still a remaining challenge. Here, a facile strategy of in situ coating of polydopamine is applied to synthesis of a series of core-shell structured SiO2@carbon composite nanorods with different thicknesses of carbon shells. The carbon shell uniformly coated on the surface of SiO2 nanorods significantly suppresses the volume expansion to some extent, as well as improves the electric conductivity of SiO2. Therefore, the composite nanorods exhibit a remarkable electrochemical performance as the electrode materials of lithium-ion batteries. For instance, a high and stable reversible capacity at a current density of 100 mA g−1 reaches 690 mAh g−1 and a capacity of 344.9 mAh g−1 can be achieved even at the high current density of 1000 mA g−1. In addition, excellent capacity retention reaches 95% over 100 cycles. These SiO2@carbon composite nanorods with decent electrochemical performances hold great potential for applications in lithium-ion batteries. Full article
(This article belongs to the Special Issue Molecular Interfaces Based Nanotechnology)
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