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Special Issue "Carbon Nanostructures as Promising Future Materials II"

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A special issue of Nanomaterials (ISSN 2079-4991). This special issue belongs to the section "2D and Carbon Nanomaterials".

Deadline for manuscript submissions: 30 March 2024 | Viewed by 5338

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Special Issue Editors

Prof. Dr. Marcel Popa

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“Cristofor Simionescu” Faculty of Chemical Engineering and Environment Protection, “Gheorghe Asachi” Technical University, Iasi, Romania
Interests: polysaccharide modification; bioactive polymers; biomaterials; hydrogels; interpenetrated networks; micro- and nanoparticles (spheres and capsules); hybrid and functionalized nanoparticles for drug targeting; drug delivery; polymer–drug conjugates
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Prof. Dr. Leonard Ionut Atanase

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Faculty of Medical Dentistry, “Apollonia” University of Iasi, 700511 Iasi, Romania
Interests: block and graft copolymers; micelles; colloids; emulsions; drug delivery; polysaccharides
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Special Issue Information

Dear Colleagues,

We are pleased to invite you to submit an article to our Special Issue entitled “Carbon Nanostructures as Promising Future Materials”. Carbon is an element well-known for its allotropic states, which are determined by various structures found in diamond, graphite, graphene, etc., that have various uses. The last four decades have marked a relaunch of carbon-based materials, beginning with the discovery of new nanostructures such as fullerenes (1985, with Nobel Prize for Robert Curl, Harold Kroto, and Richard Smalley in 1996), carbon nanotubes (1991), graphenes (Nobel Prize for Andre Geim in 2004 and Konstantin Novoselov in 2010), and carbon dots. The preparation of carbon nanostructures can be achieved through several strategies, two of which stand out as the most important: pyrolysis of organic precursors under an inert atmosphere, which is applicable to large-scale production but offers limited control over the carbon nanostructure; and physical/chemical vapor deposition techniques, which offer atomic-scale precision in controlling the nanostructure but require complex equipment. Carbon nanostructures have found a wide range of applications, such as in electron transport and nanoscale electronics, advanced fillers, adsorbents, active materials in energy accumulating systems (batteries), hydrogen storage systems, supercapacitors, additives for polymers, ceramics, metals and metal alloys, glasses, textiles and composite materials, filtering media, catalysts or supports for catalysts, delivery of moisture and essential elements for plants growth, theranostic platform (drug immobilization, transport, and delivery, medical imaging, etc.)

This Special Issue aims to present the latest research regarding the preparation, characterization, and application of carbon nanostructures, and intends to serve as a platform for debating and disseminating new results in this very versatile and practical research domain.

For this Special Issue, original research articles and reviews are welcome. Research areas may include (but are not limited to) carbon nanostructures and nanocomposites, energy storage, medical applications, and carbon dots.

We look forward to receiving your contributions.

Prof. Dr. Marcel Popa
Prof. Dr. Leonard Ionut Atanase
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. 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

carbon nanostructures
graphene
fullerene
nanotube
carbon dots
carbon nanocomposites
support for catalysts
medical applications
energy storage
fuel storage (including hydrogen)

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Research

Open AccessArticle

Density Functional Theory for Buckyballs within Symmetrized Icosahedral Basis

Chung-Yuan Ren

Raj Kumar Paudel

and

Yia-Chung Chang

Nanomaterials 2023, 13(13), 1912; https://doi.org/10.3390/nano13131912 - 23 Jun 2023

Viewed by 925

Abstract

We have developed a highly efficient computation method based on density functional theory (DFT) within a set of fully symmetrized basis functions for the C₆₀ buckyball, which possesses the icosahedral (

I_{h}

) point-group symmetry with 120 symmetry operations. We demonstrate [...] Read more.

I_{h}

) point-group symmetry with 120 symmetry operations. We demonstrate that our approach is much more efficient than the conventional approach based on three-dimensional plane waves. When applied to the calculation of optical transitions, our method is more than one order of magnitude faster than the existing DFT package with a conventional plane-wave basis. This makes it very convenient for modeling optical and transport properties of quantum devices related to buckyball crystals. The method introduced here can be easily extended to other fullerene-like materials. Full article

(This article belongs to the Special Issue Carbon Nanostructures as Promising Future Materials II)

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Open AccessFeature PaperArticle

Nanoporous Hollow Carbon Spheres Derived from Fullerene Assembly as Electrode Materials for High-Performance Supercapacitors

Lok Kumar Shrestha

Zexuan Wei

Gokulnath Subramaniam

Rekha Goswami Shrestha

and

Nanomaterials 2023, 13(5), 946; https://doi.org/10.3390/nano13050946 - 05 Mar 2023

Cited by 3 | Viewed by 3040

Abstract

The energy storage performances of supercapacitors are expected to be enhanced by the use of nanostructured hierarchically micro/mesoporous hollow carbon materials based on their ultra-high specific surface areas and rapid diffusion of electrolyte ions through the interconnected channels of their mesoporous structures. In this work, we report the electrochemical supercapacitance properties of hollow carbon spheres prepared by high-temperature carbonization of self-assembled fullerene-ethylenediamine hollow spheres (FE-HS). FE-HS, having an average external diameter of 290 nm, an internal diameter of 65 nm, and a wall thickness of 225 nm, were prepared by using the dynamic liquid-liquid interfacial precipitation (DLLIP) method at ambient conditions of temperature and pressure. High temperature carbonization (at 700, 900, and 1100 °C) of the FE-HS yielded nanoporous (micro/mesoporous) hollow carbon spheres with large surface areas (612 to 1616 m² g⁻¹) and large pore volumes (0.925 to 1.346 cm³ g⁻¹) dependent on the temperature applied. The sample obtained by carbonization of FE-HS at 900 °C (FE-HS_900) displayed optimum surface area and exhibited remarkable electrochemical electrical double-layer capacitance properties in aq. 1 M sulfuric acid due to its well-developed porosity, interconnected pore structure, and large surface area. For a three-electrode cell setup, a specific capacitance of 293 F g⁻¹ at a 1 A g⁻¹ current density, which is approximately 4 times greater than the specific capacitance of the starting material, FE-HS. The symmetric supercapacitor cell was assembled using FE-HS_900 and attained 164 F g⁻¹ at 1 A g⁻¹ with sustained 50% capacitance at 10 A g⁻¹ accompanied by 96% cycle life and 98% coulombic efficiency after 10,000 consecutive charge/discharge cycles. The results demonstrate the excellent potential of these fullerene assemblies in the fabrication of nanoporous carbon materials with the extensive surface areas required for high-performance energy storage supercapacitor applications. Full article

(This article belongs to the Special Issue Carbon Nanostructures as Promising Future Materials II)

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Open AccessCommunication

Reversible Hydrogen Storage Media by g-CN Monolayer Decorated with NLi₄: A First-Principles Study

and

Nanomaterials 2023, 13(4), 647; https://doi.org/10.3390/nano13040647 - 07 Feb 2023

Viewed by 912

Abstract

A two-dimensional graphene-like carbon nitride (g-CN) monolayer decorated with the superatomic cluster NLi₄ was studied for reversible hydrogen storage by first-principles calculations. Molecular dynamics simulations show that the g-CN monolayer has good thermal stability at room temperature. The NLi₄ is firmly anchored on the g-CN monolayer with a binding energy of −6.35 eV. Electronic charges are transferred from the Li atoms of NLi₄ to the g-CN monolayer, mainly due to the hybridization of Li(2s), C(2p), and N(2p) orbitals. Consequently, a spatial local electrostatic field is formed around NLi₄, leading to polarization of the adsorbed hydrogen molecules and further enhancing the electrostatic interactions between the Li atoms and hydrogen. Each NLi₄ can adsorb nine hydrogen molecules with average adsorption energies between −0.152 eV/H₂ and −0.237 eV/H₂. This range is within the reversible hydrogen storage energy window. Moreover, the highest achieved gravimetric capacity is up to 9.2 wt%, which is superior to the 5.5 wt% target set by the U.S. Department of Energy. This study shows that g-CN monolayers decorated with NLi₄ are a good candidate for reversible hydrogen storage. Full article

(This article belongs to the Special Issue Carbon Nanostructures as Promising Future Materials II)

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