Analysis of 2D Semiconductor: Materials, Devices and Applications

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

Deadline for manuscript submissions: 5 December 2025 | Viewed by 337

Special Issue Editors


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Guest Editor
School of Physics and Mechanics, Wuhan University of Technology, Wuhan 430070, China
Interests: low-dimensional functional materials; semiconductor; bandgap; computational science

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Guest Editor Assistant
School of Integrated Circuits, Anhui University, Hefei 230601, China
Interests: nanomaterials design; nanomaterials application; nanodevices modeling

Special Issue Information

Dear Colleagues,

Two-dimensional (2D) semiconductors, boasting exceptional attributes such as high carrier mobility, adjustable bandgaps, large specific surface areas, and remarkable scalability, exhibit tremendous application prospects across a multitude of domains, including electronics, optoelectronics, microelectronics, thermoelectrics, catalysis, and energy. Consequently, research on 2D semiconductors has risen to prominence as a leading and dynamic focal point.

The aim of this Special Issue is to publish original research and review articles that delve into the latest advancements and emerging trends in the computational, theoretical, and experimental exploration of 2D semiconductors. The scope includes, but is not limited to, the following:

  1. The growth mechanisms and evolutionary trajectories of novel 2D semiconductors;
  2. The design of 2D semiconductors tailored for applications in electronic, optoelectronic, microelectronic, and thermoelectric materials and devices, as well as in energy conversion, energy storage, catalysis, environmental protection, and beyond;
  3. The elucidation of novel physical and chemical phenomena observed in 2D semiconductors and materials derived therefrom;
  4. The modulation of the physical and chemical properties of 2D semiconductors through the manipulation of defects, strain, and external electric fields.

Dr. Junhui Yuan
Guest Editor

Dr. Yunlai Zhu
Guest Editor Assistant

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Keywords

  • two-dimensional semiconductor nanomaterials
  • two-dimensional semiconductor nanodevices
  • wide-bandgap semiconductors
  • semiconductor physics

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Published Papers (1 paper)

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Research

13 pages, 5141 KB  
Article
Designing 2D Wide Bandgap Semiconductor B12X2H6 (X=O, S) Based on Aromatic Icosahedral B12
by Pei Gong, Jun-Hui Yuan, Gen-Ping Wu, Zhi-Hong Liu, Hao Wang and Jiafu Wang
Nanomaterials 2025, 15(23), 1803; https://doi.org/10.3390/nano15231803 - 29 Nov 2025
Viewed by 152
Abstract
Constructing two-dimensional (2D) novel materials using superatoms as building blocks is currently a highly promising research field. In this study, by employing an oxidation strategy and based on first-principles calculations, we successfully predicted two types of 2D borides, namely B12X2 [...] Read more.
Constructing two-dimensional (2D) novel materials using superatoms as building blocks is currently a highly promising research field. In this study, by employing an oxidation strategy and based on first-principles calculations, we successfully predicted two types of 2D borides, namely B12X2H6 (X=O, S), with icosahedral B12 serving as their core structural unit. Ab initio molecular dynamics simulations demonstrated that these two borides exhibit exceptionally high structural stability, retaining their original structural characteristics even under extreme temperature conditions as high as 2200 K. Electronic structure calculations revealed that B12O2H6 and B12S2H6 are both wide-bandgap indirect semiconductors, with bandgap widths reaching 4.92 eV and 5.25 eV, respectively. Analysis via deformation potential theory showed that the phonon-limited carrier mobilities of B12X2H6 can reach up to 1469 cm2V−1s−1 (for B12O2H6) and 635 cm2V−1s−1 (for B12S2H6). Notably, the surfaces of B12X2H6 demonstrate excellent migration performance for alkali metal ions, with migration barriers as low as 0.15 eV (for B12O2H6) and 0.033 eV (for B12S2H6). This study not only expands the family of 2D materials based on B12 superatoms but also provides a solid theoretical foundation for the potential application of B12X2H6 in the field of low-dimensional materials. Full article
(This article belongs to the Special Issue Analysis of 2D Semiconductor: Materials, Devices and Applications)
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