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Nanomaterials
Special Issues
Structure–Property Correlation Studies of Low-Dimensional Materials
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Structure–Property Correlation Studies of Low-Dimensional Materials

A special issue of Nanomaterials (ISSN 2079-4991). This special issue belongs to the section "Nanofabrication and Nanomanufacturing".

Deadline for manuscript submissions: 25 February 2026 | Viewed by 235

Special Issue Editor

Dr. Nevill Gonzalez Szwacki

E-Mail Website
Guest Editor
Institute of Experimental Physics, Faculty of Physics, University of Warsaw, Pasteura 5, PL-02093 Warsaw, Poland
Interests: structure and properties of materials of different dimensionalities; atomic clusters; nanowires; nanotubes; 2D materials; surfaces; bulk; boron and boron-related nanomaterials; magnetic nanomaterials; native defects and impurities in semiconductors; first-principles modeling of materials
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Low-dimensional materials such as 0D clusters, 1D nanowires and nanotubes, and 2D layers have emerged as a central theme in contemporary materials science due to their exceptional physical and chemical properties. This Special Issue will gather original research and reviews that explore how the structure of low-dimensional materials governs their functional properties across various contexts, ranging from fundamental theory to practical applications. 

We welcome contributions focused on both experimental and theoretical investigations into structure–property correlations. This includes, but is not limited to, electronic, optical, mechanical, magnetic, and catalytic properties of materials such as atomic clusters, nanoribbons, 2D materials, and hybrid nanostructures. Emphasis will also be placed on advanced characterization techniques and state-of-the-art simulations that elucidate these correlations.

We will provide a platform for cutting-edge studies addressing the challenges and opportunities in tailoring material functionalities through structural design.

Topics of interest include (but are not limited to) the following:

  • Atomic clusters, nanowires, nanotubes, and 2D materials;
  • Surface and interface engineering in nanostructures;
  • Structure-driven electronic, optical, and magnetic phenomena;
  • Defect-induced functionalities in low-dimensional systems;
  • Experimental and theoretical methods for probing structure–property relationships;
  • Applications in nanoelectronics, sensors, catalysis, and energy.

We look forward to receiving your valuable contributions to this Special Issue, dedicated to advancing the fundamental understanding and practical applications of low-dimensional materials.

Dr. Nevill Gonzalez Szwacki
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 2400 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

  • low-dimensional materials
  • nanostructures
  • structure-property correlation
  • 2D materials
  • nanotubes
  • atomic clusters
  • surface engineering
  • electronic properties
  • nanomaterials
  • first-principles modeling

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Published Papers (1 paper)

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Research

13 pages, 3465 KB  
Article
Raman and Infrared Signatures of Layered Boron Nitride Polytypes: A First-Principles Study
by Priyanka Mishra and Nevill Gonzalez Szwacki
Nanomaterials 2025, 15(20), 1567; https://doi.org/10.3390/nano15201567 - 15 Oct 2025
Viewed by 162
Abstract
We present a study based on first-principles calculations of the vibrational and spectroscopic properties of four types of layered boron nitride (BN) polymorphs: e-BN (AA), h-BN (AA′), r-BN (ABC), and b-BN (AB). By using density functional [...] Read more.
We present a study based on first-principles calculations of the vibrational and spectroscopic properties of four types of layered boron nitride (BN) polymorphs: e-BN (AA), h-BN (AA′), r-BN (ABC), and b-BN (AB). By using density functional perturbation theory with van der Waals corrections, we calculate phonon frequencies and Raman/infrared (IR) activities at the Γ point and extract specific spectral fingerprints for each stack. In e-BN, we observe a sharp, isolated high-frequency E′ mode at 1420.9cm−1 that is active in both Raman and IR. For h-BN, the characteristic Raman E2g line occurs at 1415.5cm−1. The out-of-plane IR-active A2u branch shows a mid-frequency TO/LO pair at 673.5/806.6cm−1, which closely matches experimental results. Rhombohedral r-BN has a strong, coincident Raman/IR high-frequency feature (E) at 1418.5cm−1, along with a large IR LO partner at 1647.3cm−1, consistent with observed Raman and IR signatures. Bernal b-BN displays the most complicated pattern. It combines a robust mid-frequency A2″ pair (TO/LO at 697.9/803.5cm−1) with multiple high-frequency E′ modes (TO near 1416.9 and 1428.1cm−1, each with LO counterparts). These stack-dependent Raman and IR fingerprints match existing experimental data for h-BN and r-BN and provide clear predictions for e-BN and b-BN. The results offer a consistent framework for identifying and interpreting vibrational spectra in layered sp2 boron nitride and related materials. Full article
(This article belongs to the Special Issue Structure–Property Correlation Studies of Low-Dimensional Materials)
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