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Nanomaterials
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Science and Technology of Graphene
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Science and Technology of Graphene

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

Deadline for manuscript submissions: closed (31 October 2020) | Viewed by 10770

Special Issue Editor

Prof. Dr. Antonio Politano

E-Mail Website
Guest Editor
Dipartimento di Fisica, University of L’Aquila, Italy and CNR-IMM, Catania, Italy
Interests: graphene plasmonics; physical chemistry of 2D materials; condensed matter physics; materials science

Special Issue Information

Dear Colleagues,

Graphene, the forefather of two-dimensional materials, continues to attract considerable interest in the scientific community. Its versatility makes it particularly suitable for applications in many fields: flexible electronics, sensing, desalination, energy storage and production, coatings, nanocomposites, photonics and optoelectronics, and biomedical technology.

The production methods of graphene are now ready for extension to industrial scale. The obtainment of wafer-scale epitaxial graphene on insulating substrates, such as sapphire, could boost the use of graphene in electronics. For applications in printed electronics, the production of functional inks with a high concentration of graphene flakes has enabled new pathways in graphene-based science and technology.

However, one should note that basic research on graphene still gives surprising findings, although graphene is likely the most investigated material in the last 15 years. As an example, the recent discovery of superconductivity in twisted bilayer graphene has opened a new research field, even if the wafer scale production and the wide availability of twisted bilayer graphene still represent problematic challenges.

This Special Issue will be focused on recent trends in graphene research and applications. The goal of this Special Issue is also to identify future directions of science and technology. Of course, contributions on graphene-based heterostructures and on functionalized graphene systems are also welcome.

Prof. Dr. Antonio Politano
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.

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Published Papers (3 papers)

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Research

10 pages, 5830 KiB  
Article
The External Electric Field-Induced Tunability of the Schottky Barrier Height in Graphene/AlN Interface: A Study by First-Principles
by Xuefei Liu, Zhaocai Zhang, Bing Lv, Zhao Ding and Zijiang Luo
Nanomaterials 2020, 10(9), 1794; https://doi.org/10.3390/nano10091794 - 9 Sep 2020
Cited by 10 | Viewed by 2676
Abstract
Graphene-based van der Waals (vdW) heterojunction plays an important role in next-generation optoelectronics, nanoelectronics, and spintronics devices. The tunability of the Schottky barrier height (SBH) is beneficial for improving device performance, especially for the contact resistance. Herein, we investigated the electronic structure and [...] Read more.
Graphene-based van der Waals (vdW) heterojunction plays an important role in next-generation optoelectronics, nanoelectronics, and spintronics devices. The tunability of the Schottky barrier height (SBH) is beneficial for improving device performance, especially for the contact resistance. Herein, we investigated the electronic structure and interfacial characteristics of the graphene/AlN interface based on density functional theory. The results show that the intrinsic electronic properties of graphene changed slightly after contact. In contrast, the valence band maximum of AlN changed significantly due to the hybridization of Cp and Np orbital electrons. The Bader charge analysis showed that the electrons would transfer from AlN to graphene, implying that graphene would induce acceptor states. Additionally, the Schottky contact nature can be effectively tuned by the external electric field, and it will be tuned from the p-type into n-type once the electric field is larger than about 0.5 V/Å. Furthermore, the optical absorption of graphene/AlN is enhanced after contact. Our findings imply that the SBH is controllable, which is highly desirable in nano-electronic devices. Full article
(This article belongs to the Special Issue Science and Technology of Graphene)
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16 pages, 2192 KiB  
Article
TAO-DFT Study on the Electronic Properties of Diamond-Shaped Graphene Nanoflakes
by Hong-Jui Huang, Sonai Seenithurai and Jeng-Da Chai
Nanomaterials 2020, 10(6), 1236; https://doi.org/10.3390/nano10061236 - 25 Jun 2020
Cited by 12 | Viewed by 4915
Abstract
At the nanoscale, it has been rather troublesome to properly explore the properties associated with electronic systems exhibiting a radical nature using traditional electronic structure methods. Graphene nanoflakes, which are graphene nanostructures of different shapes and sizes, are typical examples. Recently, TAO-DFT (i.e., [...] Read more.
At the nanoscale, it has been rather troublesome to properly explore the properties associated with electronic systems exhibiting a radical nature using traditional electronic structure methods. Graphene nanoflakes, which are graphene nanostructures of different shapes and sizes, are typical examples. Recently, TAO-DFT (i.e., thermally-assisted-occupation density functional theory) has been formulated to tackle such challenging problems. As a result, we adopt TAO-DFT to explore the electronic properties associated with diamond-shaped graphene nanoflakes with n = 2–15 benzenoid rings fused together at each side, designated as n-pyrenes (as they could be expanded from pyrene). For all the n values considered, n-pyrenes are ground-state singlets. With increasing the size of n-pyrene, the singlet-triplet energy gap, vertical ionization potential, and fundamental gap monotonically decrease, while the vertical electron affinity and symmetrized von Neumann entropy (which is a quantitative measure of radical nature) monotonically increase. When n increases, there is a smooth transition from the nonradical character of the smaller n-pyrenes to the increasing polyradical nature of the larger n-pyrenes. Furthermore, the latter is shown to be related to the increasing concentration of active orbitals on the zigzag edges of the larger n-pyrenes. Full article
(This article belongs to the Special Issue Science and Technology of Graphene)
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16 pages, 1185 KiB  
Article
Insights on the Excitation Spectrum of Graphene Contacted with a Pt Skin
by Vito Despoja, Ivan Radović, Antonio Politano and Zoran L. Mišković
Nanomaterials 2020, 10(4), 703; https://doi.org/10.3390/nano10040703 - 8 Apr 2020
Cited by 3 | Viewed by 2566
Abstract
The excitation spectrum in the region of the intraband (Dirac plasmon) and interband ( π plasmon) plasmons in graphene/Pt-skin terminated Pt 3 Ni(111) is reproduced by using an ab-initio method and an empirical model. The results of both methods are compared with experimental [...] Read more.
The excitation spectrum in the region of the intraband (Dirac plasmon) and interband ( π plasmon) plasmons in graphene/Pt-skin terminated Pt 3 Ni(111) is reproduced by using an ab-initio method and an empirical model. The results of both methods are compared with experimental data. We discover that metallic screening by the Pt layer converts the square-root dispersion of the Dirac plasmon into a linear acoustic-like plasmon dispersion. In the long-wavelength limit, the Pt d electron excitations completely quench the π plasmon in graphene at about 4.1 eV, that is replaced by a broad peak at about 6 eV. Owing to a rather large graphene/Pt-skin separation (≈3.3 Å), the graphene/Pt-skin hybridization becomes weak at larger wave vectors, so that the π plasmon is recovered with a dispersion as in a free-standing graphene. Full article
(This article belongs to the Special Issue Science and Technology of Graphene)
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