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New Advances in Low-Dimensional Materials and Nanostructures II

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A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Advanced Nanomaterials and Nanotechnology".

Deadline for manuscript submissions: closed (20 June 2023) | Viewed by 6432

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Special Issue Editors

Prof. Dr. Konstantin Katin

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Guest Editor

1. Department of Condensed Matter Physics, National Research Nuclear University MEPhI, 101000 Moscow, Russia
2. Research Institute for the Development of Scientific and Educational Potential of Youth, 101000 Moscow, Russia
Interests: density functional theory calculations; atomistic simulations; molecular dynamics; low-dimensional materials; nanoparticles and nanostructures; surfaces and interfaces
Special Issues, Collections and Topics in MDPI journals

Dr. Mikhail M. Maslov

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Guest Editor

Division of Nanotechnologies in Electronics, Spintronics and Photonics, Office of Academic Programs, National Research Nuclear University MEPhI, 115409 Moscow, Russia
Interests: density functional theory; interatomic potentials; machine learning in materials science; molecular dynamics; 2D materials; nanoparticles
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Modern high-tech production requires advanced nanomaterials and nanostructures with specified unique characteristics. The development of next-generation technological processes is impossible without the use of an improved material base, and so low-dimensional structures are of particular importance. Their prospective applications are incredibly diverse; due to their huge specific surface area, they are excellent adsorbents and catalysts, which is especially important in such areas as energy, biochemistry, and medicine. The miniaturization of electronics inevitably leads to the need for appropriate semiconductor nanomaterials that differ from the traditional bulk ones, which will enable a significant increase in the speed of computing systems in the future. Regarding green energy, such as hydrogen energy, it is critical that functional nanomaterials that can store enough hydrogen to be used in fuel cells are created. In addition, low-dimensional materials’ properties can be easily modified and tuned via doping with various functional groups, which allows for obtaining the derivatives required for specific applications.

For this Special Issue, we are inviting the submission of articles focused on low-dimensional materials and nanostructures, including zero-dimensional, one-dimensional, and two-dimensional systems. The synthesis, structure, various physicochemical characteristics, and applications of such materials are of great scientific and practical interest. Both experimental and theoretical research are encouraged.

Dr. Konstantin P. Katin
Dr. Mikhail M. Maslov
Guest Editors

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. Materials 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 2600 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

fullerenes and nanoclusters
nanotubes and nanowires
2D materials
nanomaterials
surfaces and interfaces
colloids
nanostructures for energy applications
nanostructures for biological applications
nanostructures for catalysis
modeling of nanostructures

Published Papers (4 papers)

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Research

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10 pages, 2698 KiB

Open AccessArticle

Two-Dimensional Films Based on Graphene/Li₄Ti₅O₁₂ and Carbon Nanotube/Li₄Ti₅O₁₂ Nanocomposites as a Prospective Material for Lithium-Ion Batteries: Insight from Ab Initio Modeling

by Vladislav V. Shunaev, Alexander A. Petrunin, Haifei Zhan and Olga E. Glukhova

Materials 2023, 16(8), 3270; https://doi.org/10.3390/ma16083270 - 21 Apr 2023

Viewed by 1504

Abstract

The combination of spinel Li₄Ti₅O₁₂ (LTO) with carbon nanostructures, such as graphene (G) and carbon nanotubes (CNTs), provides all of the required properties for modern chemical power sources such as Li-ion batteries (LIBs) and supercapacitors (SCs). G/LTO and CNT/LTO composites demonstrate a superior reversible capacity, cycling stability, and good rate performances. In this paper, an ab initio attempt to estimate the electronic and capacitive properties of such composites was made for the first time. It was found that the interaction between LTO particles and CNTs was higher than that with graphene due to the larger amount of transfer charge. Increasing the graphene concentration raised the Fermi level and enhanced the conductive properties of G/LTO composites. For CNT/LTO samples, the radius of CNT did not affect the Fermi level. For both G/LTO and CNT/LTO composites, an increase in the carbon ratio resulted in a similar reduction in quantum capacitance (QC). It was observed that during the charge cycle in the real experiment, the non-Faradaic process prevailed during the charge cycle, while the Faradaic process prevailed during the discharge cycle. The obtained results confirm and explain the experimental data and improve the understanding of the processes occurring in G/LTO and CNT/LTO composites for their usages in LIBs and SCs. Full article

(This article belongs to the Special Issue New Advances in Low-Dimensional Materials and Nanostructures II)

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14 pages, 4797 KiB

Open AccessArticle

Visualization of Swift Ion Tracks in Suspended Local Diamondized Few-Layer Graphene

by Nadezhda A. Nebogatikova, Irina V. Antonova, Anton K. Gutakovskii, Dmitriy V. Smovzh, Vladimir A. Volodin and Pavel B. Sorokin

Materials 2023, 16(4), 1391; https://doi.org/10.3390/ma16041391 - 7 Feb 2023

Cited by 4 | Viewed by 1403

Abstract

In the present study we investigated the nanostructuring processes in locally suspended few-layer graphene (FLG) films by irradiation with high energy ions (Xe, 26–167 MeV). For such an energy range, the main channel of energy transfer to FLG is local, short-term excitation of the electronic subsystem. The irradiation doses used in this study are 1 × 10¹¹–5 × 10¹² ion/cm². The structural transformations in the films were identified by Raman spectroscopy and transmission electron microscopy. Two types of nanostructures formed in the FLG films as a result of irradiation were revealed. At low irradiation doses the nanostructures were formed preferably at a certain distance from the ion track and had the form of 15–35 nm “bunches”. We assumed that the internal mechanical stress that arises due to the excited atoms ejection from the central track part creates conditions for the nanodiamond formation near the track periphery. Depending on the energy of the irradiating ions, the local restructuring of films at the periphery of the ion tracks can lead either to the formation of nanodiamonds (ND) or to the formation of AA’ (or ABC) stacking. The compressive strain value and pressure at the periphery of the ion track were estimated as ~0.15–0.22% and ~0.8–1.2 GPa, respectively. The main novel results are the first visualization of ion tracks in graphene in the form of diamond or diamond-like rings, the determination of the main condition for the diamond formation (the absence of a substrate in combination with high ion energy), and estimates of the local strain at the track periphery. Generally, we have developed a novel material and have found how to control the film properties by introducing regions similar to quantum dots with the diamond interface in FLG films. Full article

(This article belongs to the Special Issue New Advances in Low-Dimensional Materials and Nanostructures II)

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15 pages, 3618 KiB

Open AccessArticle

Electrocatalytic Degradation of Rhodamine B Using Li-Doped ZnO Nanoparticles: Novel Approach

by Vanga Ganesh, Bandapelli Ravi Kumar, Thekrayat. H. AlAbdulaal, Ibrahim. S. Yahia, Mohamed Sh. Abdel-wahab, Ramesh Ade, Mai S. A. Hussien and Mohamed Keshway

Materials 2023, 16(3), 1177; https://doi.org/10.3390/ma16031177 - 30 Jan 2023

Cited by 4 | Viewed by 1423

Abstract

In this paper, we discuss the preparation of Li-doped ZnO nanostructures through combustion and report on their structural, morphological, optical, and electrocatalysis properties. X-ray diffraction analyses show that the samples have a structure crystallized into the usual hexagonal wurtzite ZnO structure according to the P63mc space group. The scanning electron microscope images conceal all samples’ nanosphere bundles and aggregates. The reflectance spectra analysis showed that the direct bandgap values varied from 3.273 eV (for pure ZnO, i.e., ZnL1) to 3.256 eV (for high Li-doped ZnO). The measured capacitance concerning frequency has estimated the variation of dielectric constant, dielectric loss, and AC conductivity against AC electric field frequency. The dielectric constant variations and AC conductivity are analyzed and discussed by well-known models such as Koop’s phenomenological theory and Jonscher’s law. The Raman spectra have been recorded and examined for the prepared samples. Rhodamine B was electro-catalytically degraded in all prepared samples, with the fastest time for ZnL5 being 3 min. Full article

(This article belongs to the Special Issue New Advances in Low-Dimensional Materials and Nanostructures II)

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Review

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21 pages, 7184 KiB

Open AccessReview

Computational Modeling of Doped 2D Anode Materials for Lithium-Ion Batteries

by Alexander Galashev

Materials 2023, 16(2), 704; https://doi.org/10.3390/ma16020704 - 11 Jan 2023

Cited by 3 | Viewed by 1752

Abstract

Development of high-performance lithium-ion batteries (LIBs) is boosted by the needs of the modern automotive industry and the wide expansion of all kinds of electronic devices. First of all, improvements should be associated with an increase in the specific capacity and charging rate as well as the cyclic stability of electrode materials. The complexity of experimental anode material selection is now the main limiting factor in improving LIB performance. Computer selection of anode materials based on first-principles and classical molecular dynamics modeling can be considered as the main paths to success. However, even combined anodes cannot always provide high LIB characteristics and it is necessary to resort to their alloying. Transmutation neutron doping (NTD) is the most appropriate way to improve the properties of thin film silicon anodes. In this review, the effectiveness of the NTD procedure for silicene/graphite (nickel) anodes is shown. With moderate P doping (up to 6%), the increase in the capacity of a silicene channel on a Ni substrate can be 15–20%, while maintaining the safety margin of silicene during cycling. This review can serve as a starting point for meaningful selection and optimization of the performance of anode materials. Full article

(This article belongs to the Special Issue New Advances in Low-Dimensional Materials and Nanostructures II)

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