2D Materials

A special issue of Applied Sciences (ISSN 2076-3417). This special issue belongs to the section "Nanotechnology and Applied Nanosciences".

Deadline for manuscript submissions: closed (30 April 2021) | Viewed by 2978

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Department of Physics, University of Namur, Rue de Bruxelles 61, B-5000 Namur, Belgium
Interests: theoretical solid-state physics; nanosciences; structural; mechanical and electronic properties of carbon nanomaterials
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Special Issue Information

Dear Colleagues,

Mathematically, a 2D crystal is unstable in free space. This does not prevent 2D materials from existing, as first demonstrated by Novoselov and Geim in 2004 with graphene. In most applications, a 2D layer is held by a solid surface on which it sticks. Fortunately, the interaction with the substrate can be weak enough to preserve the intrinsic properties of the 2D overlayer. As theory and experiment have demonstrated, these properties are remarkably different from those of usual 3D materials.

The study of 2D materials has rapidly become topical in nanosciences as more and more structures have been discovered. Elemental 2D materials include graphene, graphdiyne, silicene, phosphorene, borophene, and others. In addition, numerous compounds have been produced in the form of molecular monolayer and their properties analyzed: hexagonal BN, SnS, transition metal dichalcogenides, MXenes, etc. The electronic structures of 2D materials range from metal to semiconductor while, interestingly, a few of them demonstrate magnetic order.

Different 2D materials can be stacked in sandwich heterostructures held by van der Waals forces. Layers with different electronic properties can be assembled thereby with almost endless combinations and potential applications. Lateral heterostructures can also be imagined where two half layers are stitched together by covalent bonds.

The world of 2D materials has only been partly explored, numerous discoveries are still to come. This Special Issue offers the opportunity for actors in this area to publish their recent results in full open access.

Prof. Dr. Philippe Lambin
Guest Editor

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Keywords

  • graphene
  • TMDC
  • layered structures
  • nanocomposites
  • nanoelectronics

Published Papers (1 paper)

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Research

10 pages, 2316 KiB  
Article
Wave Packet Dynamical Simulation of Quasiparticle Interferences in 2D Materials
by Péter Vancsó, Alexandre Mayer, Péter Nemes-Incze and Géza István Márk
Appl. Sci. 2021, 11(11), 4730; https://0-doi-org.brum.beds.ac.uk/10.3390/app11114730 - 21 May 2021
Cited by 2 | Viewed by 2090
Abstract
Materials consisting of single- or a few atomic layers have extraordinary physical properties, which are influenced by the structural defects. We present two calculation methods based on wave packet (WP) dynamics, where we compute the scattering of quasiparticle WPs on localized defects. The [...] Read more.
Materials consisting of single- or a few atomic layers have extraordinary physical properties, which are influenced by the structural defects. We present two calculation methods based on wave packet (WP) dynamics, where we compute the scattering of quasiparticle WPs on localized defects. The methods are tested on a graphene sheet: (1) We describe the perfect crystal lattice and the electronic structure by a local atomic pseudopotential, then calculate the Bloch eigenstates and build a localized WP from these states. The defect is represented by a local potential, then we compute the scattering by the time development of the WP. (2) We describe the perfect crystal entirely by the kinetic energy operator, then we calculate the scattering on the local defect described by the potential energy operator. The kinetic energy operator is derived from the dispersion relation, which can be obtained from any electronic structure calculation. We also verify the method by calculating Fourier transform images and comparing them with experimental FFT-LDOS images from STM measurements. These calculation methods make it possible to study the quasiparticle interferences, inter- and intra-valley scattering, anisotropic scattering, etc., caused by defect sites for any 2D material. Full article
(This article belongs to the Special Issue 2D Materials)
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