Emerging Two-Dimensional Materials: Inspiring Nanotechnologies for Smart Energy Management

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 2022) | Viewed by 13231

Special Issue Editors


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Guest Editor
Consiglio Nazionale delle Ricerche (CNR), Istituto per la Microelettronica e Microsistemi (IMM), Unit of Agrate Brianza, via C. Olivetti 2, I-20864 Agrate Brianza, MB, Italy
Interests: 2D materials; Xenes; transition metal dichalcogenides; epitaxy; nanoelectronics; photonics

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Guest Editor
Dipartimento di Scienza dei Materiali, Università di Milano-Bicocca, Via Cozzi 55, I-20125 Milan, Italy
Interests: 2D materials; semiconductors; spectroscopy; optoelectronics; microelectronics

Special Issue Information

Dear Colleagues,

Two-dimensional (2D)-layered materials beyond graphene have a number of peculiar and innovative properties that could enable them to inherit the role previously assigned to traditional semiconductors and insulators for nanotechnologies. This could lead to an extreme scaling of the inherent device-size feature, establishing new and exotic physics (e.g., the non-trivial topology) as a game changer for device operation paradigms, and ultimately bringing substantial benefits in the area of energy consumption for next-generation high-tech devices. These materials also hold a lot of promise for so-called energy technologies, such as energy storage, conversion, and harvesting. Among these materials, consideration will be mainly given to the classes of transition metal dichalcogenides, Xenes, MXenes, and their hetero-integration, functionalization, and engineering. The present Special Issue aims to collect significant contributions in the field of the synthesis, characterization, and modeling of 2D materials beyond graphene with a special regard to their potential for energy-saving nanotechnologies. More specifically in this framework, this issue will be open to emerging 2D materials that target topics such as low energy consumption nanoelectronics, devices for light harvesting, and new solutions for energy technologies, including energy storage and conversion devices.

Dr. Alessandro Molle
Prof. Dr. Emiliano Bonera
Guest Editors

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Keywords

  • 2D materials beyond graphene: synthesis and modelling
  • transition metal dichalcogenides
  • Xenes: silicene, stanene, phosphorene, borophene, tellurene, etc.
  • MXenes
  • 2D perovskite
  • topological materials
  • Van der Waals heterostructures
  • interface engineering
  • 2D materials characterization and metrology
  • energy technologies: thermoelectrics, batteries and supercapacitors, hydrogen evolution reaction, light harvesting

Published Papers (6 papers)

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Editorial

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2 pages, 181 KiB  
Editorial
Emerging Two-Dimensional Materials: Inspiring Nanotechnologies for Smart Energy Management
by Emiliano Bonera and Alessandro Molle
Nanomaterials 2023, 13(8), 1353; https://doi.org/10.3390/nano13081353 - 13 Apr 2023
Cited by 1 | Viewed by 902
Abstract
Two-dimensional (2D) materials are a class of materials that can be reduced to a thickness of a few layers, exhibiting peculiar and innovative properties relative to their three-dimensional solid counterparts [...] Full article

Research

Jump to: Editorial

10 pages, 3019 KiB  
Article
Extreme Bendability of Atomically Thin MoS2 Grown by Chemical Vapor Deposition Assisted by Perylene-Based Promoter
by Christian Martella, Davide Campi, Pinaka Pani Tummala, Erika Kozma, Paolo Targa, Davide Codegoni, Marco Bernasconi, Alessio Lamperti and Alessandro Molle
Nanomaterials 2022, 12(22), 4050; https://doi.org/10.3390/nano12224050 - 17 Nov 2022
Cited by 6 | Viewed by 1472
Abstract
Shaping two-dimensional (2D) materials in arbitrarily complex geometries is a key to designing their unique physical properties in a controlled fashion. This is an elegant solution, taking benefit from the extreme flexibility of the 2D layers but requiring the ability to force their [...] Read more.
Shaping two-dimensional (2D) materials in arbitrarily complex geometries is a key to designing their unique physical properties in a controlled fashion. This is an elegant solution, taking benefit from the extreme flexibility of the 2D layers but requiring the ability to force their spatial arrangement from flat to curved geometries in a delicate balance among free-energy contributions from strain, slip-and-shear mechanisms, and adhesion to the substrate. Here, we report on a chemical vapor deposition approach, which takes advantage of the surfactant effects of organic molecules, namely the tetrapotassium salt of perylene-3,4,9,10-tetracarboxylic acid (PTAS), to conformally grow atomically thin layers of molybdenum disulphide (MoS2) on arbitrarily nanopatterned substrates. Using atomically resolved transmission electron microscope images and density functional theory calculations, we show that the most energetically favorable condition for the MoS2 layers consists of its adaptation to the local curvature of the patterned substrate through a shear-and-slip mechanism rather than strain accumulation. This conclusion also reveals that the perylene-based molecules have a role in promoting the adhesion of the layers onto the substrate, no matter the local-scale geometry. Full article
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18 pages, 4224 KiB  
Article
Evolution of the Electronic and Optical Properties of Meta-Stable Allotropic Forms of 2D Tellurium for Increasing Number of Layers
by Simone Grillo, Olivia Pulci and Ivan Marri
Nanomaterials 2022, 12(14), 2503; https://doi.org/10.3390/nano12142503 - 21 Jul 2022
Cited by 3 | Viewed by 2128
Abstract
In this work, ab initio Density Functional Theory calculations are performed to investigate the evolution of the electronic and optical properties of 2D Tellurium—called Tellurene—for three different allotropic forms (α-, β- and γ-phase), as a function of the number [...] Read more.
In this work, ab initio Density Functional Theory calculations are performed to investigate the evolution of the electronic and optical properties of 2D Tellurium—called Tellurene—for three different allotropic forms (α-, β- and γ-phase), as a function of the number of layers. We estimate the exciton binding energies and radii of the studied systems, using a 2D analytical model. Our results point out that these quantities are strongly dependent on the allotropic form, as well as on the number of layers. Remarkably, we show that the adopted method is suitable for reliably predicting, also in the case of Tellurene, the exciton binding energy, without the need of computationally demanding calculations, possibly suggesting interesting insights into the features of the system. Finally, we inspect the nature of the mechanisms ruling the interaction of neighbouring Tellurium atoms helical chains (characteristic of the bulk and α-phase crystal structures). We show that the interaction between helical chains is strong and cannot be explained by solely considering the van der Waals interaction. Full article
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19 pages, 4359 KiB  
Article
Understanding of the Electrochemical Behavior of Lithium at Bilayer-Patched Epitaxial Graphene/4H-SiC
by Ivan Shtepliuk, Mikhail Vagin, Ziyauddin Khan, Alexei A. Zakharov, Tihomir Iakimov, Filippo Giannazzo, Ivan G. Ivanov and Rositsa Yakimova
Nanomaterials 2022, 12(13), 2229; https://doi.org/10.3390/nano12132229 - 29 Jun 2022
Cited by 2 | Viewed by 1765
Abstract
Novel two-dimensional materials (2DMs) with balanced electrical conductivity and lithium (Li) storage capacity are desirable for next-generation rechargeable batteries as they may serve as high-performance anodes, improving output battery characteristics. Gaining an advanced understanding of the electrochemical behavior of lithium at the electrode [...] Read more.
Novel two-dimensional materials (2DMs) with balanced electrical conductivity and lithium (Li) storage capacity are desirable for next-generation rechargeable batteries as they may serve as high-performance anodes, improving output battery characteristics. Gaining an advanced understanding of the electrochemical behavior of lithium at the electrode surface and the changes in interior structure of 2DM-based electrodes caused by lithiation is a key component in the long-term process of the implementation of new electrodes into to a realistic device. Here, we showcase the advantages of bilayer-patched epitaxial graphene on 4H-SiC (0001) as a possible anode material in lithium-ion batteries. The presence of bilayer graphene patches is beneficial for the overall lithiation process because it results in enhanced quantum capacitance of the electrode and provides extra intercalation paths. By performing cyclic voltammetry and chronoamperometry measurements, we shed light on the redox behavior of lithium at the bilayer-patched epitaxial graphene electrode and find that the early-stage growth of lithium is governed by the instantaneous nucleation mechanism. The results also demonstrate the fast lithium-ion transport (~4.7–5.6 × 10−7 cm2∙s−1) to the bilayer-patched epitaxial graphene electrode. Raman measurements complemented by in-depth statistical analysis and density functional theory calculations enable us to comprehend the lithiation effect on the properties of bilayer-patched epitaxial graphene and ascribe the lithium intercalation-induced Raman G peak splitting to the disparity between graphene layers. The current results are helpful for further advancement of the design of graphene-based electrodes with targeted performance. Full article
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11 pages, 3766 KiB  
Article
Efficient Hydrogen Evolution Reaction with Bulk and Nanostructured Mitrofanovite Pt3Te4
by Gianluca D’Olimpio, Lixue Zhang, Chia-Nung Kuo, Daniel Farias, Luca Ottaviano, Chin Shan Lue, Jun Fujii, Ivana Vobornik, Amit Agarwal, Piero Torelli, Danil W. Boukhvalov and Antonio Politano
Nanomaterials 2022, 12(3), 558; https://doi.org/10.3390/nano12030558 - 6 Feb 2022
Cited by 3 | Viewed by 2647
Abstract
Here, we discuss the key features of electrocatalysis with mitrofanovite (Pt3Te4), a recently discovered mineral with superb performances in hydrogen evolution reaction. Mitrofanovite is a layered topological metal with spin-polarized topological surface states with potential applications for spintronics. However, [...] Read more.
Here, we discuss the key features of electrocatalysis with mitrofanovite (Pt3Te4), a recently discovered mineral with superb performances in hydrogen evolution reaction. Mitrofanovite is a layered topological metal with spin-polarized topological surface states with potential applications for spintronics. However, mitrofanovite is also an exceptional platform for electrocatalysis, with costs of the electrodes suppressed by 47% owing to the partial replacement of Pt with Te. Remarkably, the Tafel slope in nanostructured mitrofanovite is just 33 mV/dec, while reduced mitrofanovite has the same Tafel slope (36 mV/dec) as state-of-the-art electrodes of pure Pt. Mitrofanovite also affords surface stability and robustness to CO poisoning. Accordingly, these findings pave the way for the advent of mitrofanovite for large-scale hydrogen production. Full article
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13 pages, 5957 KiB  
Article
Ab-Initio Spectroscopic Characterization of Melem-Based Graphitic Carbon Nitride Polymorphs
by Aldo Ugolotti and Cristiana Di Valentin
Nanomaterials 2021, 11(7), 1863; https://doi.org/10.3390/nano11071863 - 20 Jul 2021
Cited by 7 | Viewed by 2599
Abstract
Polymeric graphitic carbon nitride (gCN) compounds are promising materials in photoactivated electrocatalysis thanks to their peculiar structure of periodically spaced voids exposing reactive pyridinic N atoms. These are excellent sites for the adsorption of isolated transition metal atoms or small clusters that can [...] Read more.
Polymeric graphitic carbon nitride (gCN) compounds are promising materials in photoactivated electrocatalysis thanks to their peculiar structure of periodically spaced voids exposing reactive pyridinic N atoms. These are excellent sites for the adsorption of isolated transition metal atoms or small clusters that can highly enhance the catalytic properties. However, several polymorphs of gCN can be obtained during synthesis, differing for their structural and electronic properties that ultimately drive their potential as catalysts. The accurate characterization of the obtained material is critical for the correct rationalization of the catalytic results; however, an unambiguous experimental identification of the actual polymer is challenging, especially without any reference spectroscopic features for the assignment. In this work, we optimized several models of melem-based gCN, taking into account different degrees of polymerization and arrangement of the monomers, and we present a thorough computational characterization of their simulated XRD, XPS, and NEXAFS spectroscopic properties, based on state-of-the-art density functional theory calculations. Through this detailed study, we could identify the peculiar fingerprints of each model and correlate them with its structural and/or electronic properties. Theoretical predictions were compared with the experimental data whenever they were available. Full article
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