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Feature Papers in Materials Physics (2nd Edition)
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Feature Papers in Materials Physics (2nd Edition)

A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Materials Physics".

Deadline for manuscript submissions: 20 October 2024 | Viewed by 4843

Special Issue Editors

Dr. Vlassios Likodimos

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Guest Editor
Section of Condensed Matter Physics, Department of Physics, National and Kapodistrian University of Athens, University Campus, GR-157 84 Zografou, Athens
Interests: photocatalytic materials; nanostructured titanium dioxide; carbon nanomaterials; metal oxides
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Andres Sotelo

E-Mail Website
Guest Editor
Instituto de Ciencia de Materials de Aragón (CSIC-Universidad de Zaragoza), Made Luna 3, 50018 Zaragoza, Spain
Interests: oxide materials for energy applications; thermoelectrics; superconductors; directional growth of oxide materials; laser texturing of oxide materials; ceramic materials processing
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Materials physics has been one of the most vivid fields in materials research that has played a key role in shaping and advancing modern materials from both a fundamental and applied perspective. This Special Issue seeks high-quality feature papers on materials physics that provide insights into and highlight the latest progress and innovative developments in materials fabrication and processing, characterization, integration, and performance evaluation in existing and emerging technologies in diverse fields ranging from mechanics, electronics, and photonics to solar energy conversion and environmental engineering.

As Guest Editors of this Special Issue, we cordially invite you to submit your recent work, including original research manuscripts and comprehensive review articles that significantly advance our current understanding of materials properties and/or applications for a wide range of nanostructured and functional materials. The topics of interest include but are not limited to:

  • Metals and alloys
  • Ceramics and coatings
  • Semiconductors
  • Metal oxides
  • Optical and photonic materials
  • Low-dimensional materials
  • Plasmonics and metamaterials
  • Magnetic materials
  • Superconducting and quantum materials
  • Ferroelectrics, multiferroics, and magnetoelectrics
  • Thermoelectrics
  • Polymers
  • Metal–organic materials
  • Amorphous solids

Dr. Vlassios Likodimos
Prof. Dr. Andres Sotelo
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

  • metals and alloys
  • ceramics and coatings
  • semiconductors
  • metal oxides
  • optical and photonic materials
  • low-dimensional materials
  • plasmonics
  • metamaterials
  • magnetic materials
  • superconducting and quantum materials
  • ferroelectrics, multiferroics
  • magnetoelectrics
  • thermoelectrics
  • polymers
  • metal–organic materials
  • amorphous solids

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Related Special Issue

Published Papers (7 papers)

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Research

16 pages, 8286 KiB  
Article
A DFT Computational Study of Type-I Clathrates A8Sn46−x (A = Cs or NH4, x = 0 or 2)
by Nikolaos Kelaidis, Emmanuel Klontzas and Andreas Kaltzoglou
Materials 2024, 17(18), 4595; https://doi.org/10.3390/ma17184595 - 19 Sep 2024
Viewed by 478
Abstract
Semiconducting clathrates have attracted considerable interest in the field of thermoelectric materials. We report here a computational study on the crystal structure, the enthalpy of formation, and the physical properties of the following type-I clathrates: (a) experimentally studied Cs8Sn44 and [...] Read more.
Semiconducting clathrates have attracted considerable interest in the field of thermoelectric materials. We report here a computational study on the crystal structure, the enthalpy of formation, and the physical properties of the following type-I clathrates: (a) experimentally studied Cs8Sn44 and hypothetical Cs8Sn46 and (b) hypothetical (NH4)8Sn46−x (x = 0 or 2). The ab initio VASP calculations for the nominal stoichiometries include the geometry optimization of the initial structural models, enthalpies of formation, and the electronic and phonon density of states. Comparison of the chemical bonding of the structural models is performed via the electron localization function. The results show that the presence and distribution of defects in the Sn framework for both Cs8Sn46−x and (NH4)8Sn46−x systems significantly alters the formation energy and its electrical properties, ranging from metallic to semiconducting behavior. In particular, one defect per six-membered Sn ring in a 3D spiro-network is the thermodynamically preferred configuration that results in the Cs8Sn44 and (NH4)8Sn44 stoichiometries with narrow-band gap semiconducting behavior. Moreover, the rotation of the ammonium cation in the polyhedral cavities is an interesting feature that may promote the use of ammonium or other small molecular cations as guests in clathrates for thermoelectric applications; this is due to the decrease in the lattice thermal conductivity. Full article
(This article belongs to the Special Issue Feature Papers in Materials Physics (2nd Edition))
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13 pages, 4081 KiB  
Article
Enhanced Raman Scattering in CVD-Grown MoS2/Ag Nanoparticle Hybrids
by Dionysios M. Maratos, Antonios Michail, Alkeos Stamatelatos, Spyridon Grammatikopoulos, Dimitris Anestopoulos, Vassilis Tangoulis, Konstantinos Papagelis, John Parthenios and Panagiotis Poulopoulos
Materials 2024, 17(17), 4396; https://doi.org/10.3390/ma17174396 - 6 Sep 2024
Viewed by 787
Abstract
Surface-Enhanced Raman Spectroscopy (SERS) is a powerful, non-destructive technique for enhancing molecular spectra, first discovered in 1974. This study investigates the enhancement of Raman signals from single- and few-layer molybdenum disulfide (MoS2) when interacting with silver nanoparticles. We synthesized a MoS [...] Read more.
Surface-Enhanced Raman Spectroscopy (SERS) is a powerful, non-destructive technique for enhancing molecular spectra, first discovered in 1974. This study investigates the enhancement of Raman signals from single- and few-layer molybdenum disulfide (MoS2) when interacting with silver nanoparticles. We synthesized a MoS2 membrane primarily consisting of monolayers and bilayers through a wet chemical vapor deposition method using metal salts. The silver nanoparticles were either directly grown on the MoS2 membrane or placed beneath it. Raman measurements revealed a significant increase in signal intensity from the MoS2 membrane on the silver nanoparticles, attributed to localized surface plasmon resonances that facilitate SERS. Our results indicate that dichalcogenide/plasmonic systems have promising applications in the semiconductor industry. Full article
(This article belongs to the Special Issue Feature Papers in Materials Physics (2nd Edition))
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12 pages, 5681 KiB  
Article
Thermal Relaxation in Janus Transition Metal Dichalcogenide Bilayers
by Aristotelis P. Sgouros, Fotios I. Michos, Michail M. Sigalas and George Kalosakas
Materials 2024, 17(17), 4200; https://doi.org/10.3390/ma17174200 - 25 Aug 2024
Viewed by 432
Abstract
In this work, we employ molecular dynamics simulations with semi-empirical interatomic potentials to explore heat dissipation in Janus transition metal dichalcogenides (JTMDs). The middle atomic layer is composed of either molybdenum (Mo) or tungsten (W) atoms, and the top and bottom atomic layers [...] Read more.
In this work, we employ molecular dynamics simulations with semi-empirical interatomic potentials to explore heat dissipation in Janus transition metal dichalcogenides (JTMDs). The middle atomic layer is composed of either molybdenum (Mo) or tungsten (W) atoms, and the top and bottom atomic layers consist of sulfur (S) and selenium (Se) atoms, respectively. Various nanomaterials have been investigated, including both pristine JTMDs and nanostructures incorporating inner triangular regions with a composition distinct from the outer bulk material. At the beginning of our simulations, a temperature gradient across the system is imposed by heating the central region to a high temperature while the surrounding area remains at room temperature. Once a steady state is reached, characterized by a constant energy flux, the temperature control in the central region is switched off. The heat attenuation is investigated by monitoring the characteristic relaxation time (τav) of the local temperature at the central region toward thermal equilibrium. We find that SMoSe JTMDs exhibit thermal attenuation similar to conventional TMDs (τav~10–15 ps). On the contrary, SWSe JTMDs feature relaxation times up to two times as high (τav~14–28 ps). Forming triangular lateral heterostructures in their surfaces leads to a significant slowdown in heat attenuation by up to about an order of magnitude (τav~100 ps). Full article
(This article belongs to the Special Issue Feature Papers in Materials Physics (2nd Edition))
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16 pages, 2545 KiB  
Article
Cavity-Tuned Exciton Dynamics in Transition Metal Dichalcogenides Monolayers
by Kaijun Shen, Kewei Sun, Maxim F. Gelin and Yang Zhao
Materials 2024, 17(16), 4127; https://doi.org/10.3390/ma17164127 - 20 Aug 2024
Viewed by 676
Abstract
A fully quantum, numerically accurate methodology is presented for the simulation of the exciton dynamics and time-resolved fluorescence of cavity-tuned two-dimensional (2D) materials at finite temperatures. This approach was specifically applied to a monolayer WSe2 system. Our methodology enabled us to identify [...] Read more.
A fully quantum, numerically accurate methodology is presented for the simulation of the exciton dynamics and time-resolved fluorescence of cavity-tuned two-dimensional (2D) materials at finite temperatures. This approach was specifically applied to a monolayer WSe2 system. Our methodology enabled us to identify the dynamical and spectroscopic signatures of polaronic and polaritonic effects and to elucidate their characteristic timescales across a range of exciton–cavity couplings. The approach employed can be extended to simulation of various cavity-tuned 2D materials, specifically for exploring finite temperature nonlinear spectroscopic signals. Full article
(This article belongs to the Special Issue Feature Papers in Materials Physics (2nd Edition))
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18 pages, 7635 KiB  
Article
A Novel Approach for Evaluating the Influence of Texture Intensities on the First Magnetization Curve and Hysteresis Loss in Fe–Si Alloys
by Daniele Carosi, Alessandro Morri, Lorella Ceschini and Alessandro Ferraiuolo
Materials 2024, 17(16), 3969; https://doi.org/10.3390/ma17163969 - 9 Aug 2024
Viewed by 848
Abstract
This paper examines the relationship between the magnetization behavior and crystal lattice orientations of Fe–Si alloys intended for magnetic applications. A novel approach is introduced to assess anisotropy of the magnetic losses and first magnetization curves. This method links the magnetocrystalline anisotropy energy [...] Read more.
This paper examines the relationship between the magnetization behavior and crystal lattice orientations of Fe–Si alloys intended for magnetic applications. A novel approach is introduced to assess anisotropy of the magnetic losses and first magnetization curves. This method links the magnetocrystalline anisotropy energy of single crystal structures to the textures of polycrystalline materials through a vectorial space description of the crystal unit cell, incorporating vectors for external applied field and saturation magnetization. This study provides a preliminary understanding of how texture influences magnetic loss rates and the first magnetization curves. Experimental results from Electron Back-Scattered Diffraction (EBSD) and Single-Sheet Tests (SSTs), combined with energy considerations and mathematical modeling, reveal the following key findings: (i) a higher density of cubic texture components, whether aligned or rotated relative to the rolling direction, decreases magnetic anisotropy, suggesting that optimizing cubic texture can enhance material performance; (ii) at high magnetic fields, there is no straightforward correlation between energy losses and polarization; and (iii) magnetization rates significantly impact magnetization loss rates, highlighting the importance of considering these rates in optimizing Fe–Si sheet manufacturing processes. These findings offer valuable insights for improving the manufacturing and performance of Fe–Si sheets, emphasizing the need for further exploration of texture effects on magnetic behavior. Full article
(This article belongs to the Special Issue Feature Papers in Materials Physics (2nd Edition))
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11 pages, 4002 KiB  
Article
Chalcogen Doping in SnO2: A DFT Investigation of Optical and Electronic Properties for Enhanced Photocatalytic Applications
by Nikolaos Kelaidis, Yerassimos Panayiotatos and Alexander Chroneos
Materials 2024, 17(16), 3910; https://doi.org/10.3390/ma17163910 - 7 Aug 2024
Viewed by 449
Abstract
Tin dioxide (SnO2) is an important transparent conductive oxide (TCO), highly desirable for its use in various technologies due to its earth abundance and non-toxicity. It is studied for applications such as photocatalysis, energy harvesting, energy storage, LEDs, and photovoltaics as [...] Read more.
Tin dioxide (SnO2) is an important transparent conductive oxide (TCO), highly desirable for its use in various technologies due to its earth abundance and non-toxicity. It is studied for applications such as photocatalysis, energy harvesting, energy storage, LEDs, and photovoltaics as an electron transport layer. Elemental doping has been an established method to tune its band gap, increase conductivity, passivate defects, etc. In this study, we apply density functional theory (DFT) calculations to examine the electronic and optical properties of SnO2 when doped with members of the oxygen family, namely S, Se, and Te. By calculating defect formation energies, we find that S doping is energetically favourable in the oxygen substitutional position, whereas Se and Te prefer the Sn substitutional site. We show that S and Se substitutional doping leads to near gap states and can be an effective way to reduce the band gap, which results in an increased absorbance in the optical part of the spectrum, leading to improved photocatalytic activity, whereas Te doping results in several mid-gap states. Full article
(This article belongs to the Special Issue Feature Papers in Materials Physics (2nd Edition))
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9 pages, 446 KiB  
Article
Theoretical Study of the Magnetic and Optical Properties of Ion-Doped LiMPO4 (M = Fe, Ni, Co, Mn)
by Iliana N. Apostolova, Angel T. Apostolov and Julia Mihailowa Wesselinowa
Materials 2024, 17(9), 1945; https://doi.org/10.3390/ma17091945 - 23 Apr 2024
Cited by 1 | Viewed by 578
Abstract
Using a microscopic model and Green’s function theory, we calculated the magnetization and band-gap energy in ion-doped LiMPO4 (LMPO), where M = Fe, Ni, Co, Mn. Ion doping, such as with Nb, Ti, or Al ions at the [...] Read more.
Using a microscopic model and Green’s function theory, we calculated the magnetization and band-gap energy in ion-doped LiMPO4 (LMPO), where M = Fe, Ni, Co, Mn. Ion doping, such as with Nb, Ti, or Al ions at the Li site, induces weak ferromagnetism in LiFePO4. Substituting Li with ions of a smaller radius, such as Nb, Ti, or Al, creates compressive strain, resulting in increased exchange interaction constants and a decreased band-gap energy, Eg, in the doped material. Notably, Nb ion doping at the Fe site leads to a more pronounced decrease in Eg compared to doping at the Li site, potentially enhancing conductivity. Similar trends in Eg reduction are observed across other LMPO4 compounds. Conversely, substituting ions with a larger ionic radius than Fe, such as Zn and Cd, causes an increase in Eg. Full article
(This article belongs to the Special Issue Feature Papers in Materials Physics (2nd Edition))
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