Sign in to use this feature.

Years

Between: -

Subjects

remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline

Journals

Article Types

Countries / Regions

Search Results (105)

Search Parameters:
Keywords = multi-bandgap

Order results
Result details
Results per page
Select all
Export citation of selected articles as:
18 pages, 3872 KB  
Article
Predicting the Bandgap of Graphene Based on Machine Learning
by Qinze Yu, Lingtao Zhan, Xiongbai Cao, Tingting Wang, Haolong Fan, Zhenru Zhou, Huixia Yang, Teng Zhang, Quanzhen Zhang and Yeliang Wang
Physchem 2025, 5(4), 41; https://doi.org/10.3390/physchem5040041 - 1 Oct 2025
Abstract
Over the past decade, two-dimensional materials have become a research hotspot in chemistry, physics, materials science, and electrical and optical engineering due to their excellent properties. Graphene is one of the earliest discovered 2D materials. The absence of a bandgap in pure graphene [...] Read more.
Over the past decade, two-dimensional materials have become a research hotspot in chemistry, physics, materials science, and electrical and optical engineering due to their excellent properties. Graphene is one of the earliest discovered 2D materials. The absence of a bandgap in pure graphene limits its application in digital electronics where switching behavior is essential. In the present study, researchers have proposed a variety of methods for tuning the graphene bandgap. Machine learning methodologies have demonstrated the capability to enhance the efficiency of materials research by automating the recording of characteristic parameters from the discovery and preparation of 2D materials, property calculations, and simulations, as well as by facilitating the extraction and summarization of governing principles. In this work, we use first principle calculations to build a dataset of graphene band gaps under various conditions, including the application of a perpendicular external electric field, nitrogen doping, and hydrogen atom adsorption. Support Vector Machine (SVM), Random Forest (RF), and Multi-Layer Perceptron (MLP) Regression were utilized to successfully predict the graphene bandgap, and the accuracy of the models was verified using first principles. Finally, the advantages and limitations of the three models were compared. Full article
Show Figures

Figure 1

12 pages, 2667 KB  
Article
Optimized Sonochemical Exfoliation of Bulk 6H-SiC for the Synthesis of Multi-Layered SiC Nanosheets
by Eric Fernando Vázquez-Vázquez, Yazmín Mariela Hernández-Rodríguez, Omar Solorza-Feria and Oscar Eduardo Cigarroa-Mayorga
Nanomaterials 2025, 15(19), 1480; https://doi.org/10.3390/nano15191480 - 27 Sep 2025
Abstract
In this study, a novel and rapid top-down synthesis method for the successful synthesis of few-layered 2D SiC is reported. Since the theoretical prediction of planar and stable 2D SiC with a direct bandgap, only a few experimental methods have overcome the challenging [...] Read more.
In this study, a novel and rapid top-down synthesis method for the successful synthesis of few-layered 2D SiC is reported. Since the theoretical prediction of planar and stable 2D SiC with a direct bandgap, only a few experimental methods have overcome the challenging covalent sp3 hybridization of its bulk structure, unlike Van der Waals layered material bonding, making the synthesis of few-layered or mono-layered SiC more difficult due to the highly time- and energy-consuming methods. Moreover, correctly choosing between the more than 250 SiC polytypes increases the complexity of successful approaches to its 2D synthesis. This work reports, for the first time, multi-layered 2D SiC obtained using the wet ultrasonic probe sonochemical exfoliation method, reducing both the experimental synthesis time and energy consumption. Raman spectra showed the size-dependent correlation of the longitudinal optical (LO) mode, and IR showed the bond modification between bulk and nanostructured SiC. These results demonstrate a scalable and facile route for 2D SiC production; therefore, a wide variety of applications can be explored experimentally rather than theoretically, and methods such as the deposition of ScAlN layers onto SiN can be simplified in further studies. Full article
(This article belongs to the Section Nanofabrication and Nanomanufacturing)
Show Figures

Graphical abstract

21 pages, 6518 KB  
Article
Topological Rainbow Trapping in One-Dimensional Magnetoelastic Phononic Crystal Slabs
by Wen Xiao, Fuhao Sui, Jiujiu Chen, Hongbo Huang and Tao Luo
Magnetochemistry 2025, 11(10), 83; https://doi.org/10.3390/magnetochemistry11100083 - 25 Sep 2025
Abstract
We design a one-dimensional magnetoelastic phononic crystal slab composed of the smart magnetostrictive material Terfenol-D and pure tungsten. Band inversion and topological phase transitions are achieved by modifying the geometric parameters of the non-magnetic medium within the unit cell. The emergence of topological [...] Read more.
We design a one-dimensional magnetoelastic phononic crystal slab composed of the smart magnetostrictive material Terfenol-D and pure tungsten. Band inversion and topological phase transitions are achieved by modifying the geometric parameters of the non-magnetic medium within the unit cell. The emergence of topological interface states within overlapping bandgaps, exhibiting distinct topological properties, along with their robustness against interfacial structural defects, is confirmed. The coupling effects between adjacent topological interface states in a sandwich-like supercell configuration are investigated, and their tunability under external magnetic fields is demonstrated. A Su-Schrieffer-Heeger (SSH) phononic crystal slab system under gradient magnetic fields is proposed. Critically, and in stark contrast to previous static or structurally graded designs, we achieve reconfigurable rainbow trapping of topological interface states solely by reprogramming the gradient magnetic field, leaving the physical structure entirely unchanged. This highly localized, compact, and broadband-tunable topological rainbow trapping system design holds significant promise for applications in elastic energy harvesting, wave filtering, and multi-frequency signal processing. Full article
(This article belongs to the Special Issue Advances in Low-Dimensional Magnetic Materials)
Show Figures

Figure 1

46 pages, 3434 KB  
Review
System-Level Compact Review of On-Board Charging Technologies for Electrified Vehicles: Architectures, Components, and Industrial Trends
by Pierpaolo Dini, Sergio Saponara, Sajib Chakraborty and Omar Hegazy
Batteries 2025, 11(9), 341; https://doi.org/10.3390/batteries11090341 - 17 Sep 2025
Viewed by 408
Abstract
The increasing penetration of electrified vehicles is accelerating the evolution of on-board and off-board charging systems, which must deliver higher efficiency, power density, safety, and bidirectionality under increasingly demanding constraints. This article presents a system-level review of state-of-the-art charging architectures, with a focus [...] Read more.
The increasing penetration of electrified vehicles is accelerating the evolution of on-board and off-board charging systems, which must deliver higher efficiency, power density, safety, and bidirectionality under increasingly demanding constraints. This article presents a system-level review of state-of-the-art charging architectures, with a focus on galvanically isolated power conversion stages, wide-bandgap-based switching devices, battery pack design, and real-world implementation trends. The analysis spans the full energy path—from grid interface to battery terminals—highlighting key aspects such as AC/DC front-end topologies (Boost, Totem-Pole, Vienna, T-Type), high-frequency isolated DC/DC converters (LLC, PSFB, DAB), transformer modeling and optimization, and the functional integration of the Battery Management System (BMS). Attention is also given to electrochemical cell characteristics, pack architecture, and their impact on OBC design constraints, including voltage range, ripple sensitivity, and control bandwidth. Commercial solutions are examined across Tier 1–3 suppliers, illustrating how technical enablers such as SiC/GaN semiconductors, planar magnetics, and high-resolution BMS coordination are shaping production-grade OBCs. A system perspective is maintained throughout, emphasizing co-design approaches across hardware, firmware, and vehicle-level integration. The review concludes with a discussion of emerging trends in multi-functional power stages, V2G-enabled interfaces, predictive control, and platform-level convergence, positioning the on-board charger as a key node in the energy and information architecture of future electric vehicles. Full article
Show Figures

Figure 1

35 pages, 53404 KB  
Article
Morphological and Optical Properties of RE-Doped ZnO Thin Films Fabricated Using Nanostructured Microclusters Grown by Electrospinning–Calcination
by Marina Manica, Mirela Petruta Suchea, Dumitru Manica, Petronela Pascariu, Oana Brincoveanu, Cosmin Romanitan, Cristina Pachiu, Adrian Dinescu, Raluca Muller, Stefan Antohe, Daniel Marcel Manoli and Emmanuel Koudoumas
Nanomaterials 2025, 15(17), 1369; https://doi.org/10.3390/nano15171369 - 4 Sep 2025
Viewed by 612
Abstract
In this study, we report the fabrication and multi-technique characterization of pure and rare-earth (RE)-doped ZnO thin films using nanostructured microclusters synthesized via electrospinning followed by calcination. Lanthanum (La), erbium (Er), and samarium (Sm) were each incorporated at five concentrations (0.1–5 at.%) into [...] Read more.
In this study, we report the fabrication and multi-technique characterization of pure and rare-earth (RE)-doped ZnO thin films using nanostructured microclusters synthesized via electrospinning followed by calcination. Lanthanum (La), erbium (Er), and samarium (Sm) were each incorporated at five concentrations (0.1–5 at.%) into ZnO, and the resulting powders were drop-cast as thin films on glass substrates. This approach enables the transfer of pre-engineered nanoscale morphologies into the final thin-film architecture. The morphological analysis by scanning electron microscopy (SEM) revealed a predominance of spherical nanoparticles and nanorods, with distinct variations in size and aspect ratio depending on dopant type and concentration. X-ray diffraction (XRD) and Rietveld analysis confirmed the wurtzite ZnO structure with increasing evidence of secondary phase formation at high dopant levels (e.g., Er2O3, Sm2O3, and La(OH)3). Raman spectroscopy showed peak shifts, broadening, and defect-related vibrational modes induced by RE incorporation, in agreement with the lattice strain and crystallinity variations observed in XRD. Elemental mapping (EDX) confirmed uniform dopant distribution. Optical transmittance exceeded 70% for all films, with Tauc analysis revealing slight bandgap narrowing (Eg = 2.93–2.97 eV) compared to pure ZnO. This study demonstrates that rare-earth doping via electrospun nanocluster precursors is a viable route to engineer ZnO thin films with tunable structural and optical properties. Despite current limitations in film-substrate adhesion, the method offers a promising pathway for future transparent optoelectronic, sensing, or UV detection applications, where further interface engineering could unlock their full potential. Full article
Show Figures

Graphical abstract

14 pages, 3923 KB  
Article
Low-Frequency Band Gap Expansion of Acoustic Metamaterials Based on Multi-Mode Coupling Effect
by Yudong Wu, Zhiyuan Wu, Wang Yan, Shiqi Deng, Fangjun Zuo, Mingliang Yang and Weiping Ding
Crystals 2025, 15(9), 764; https://doi.org/10.3390/cryst15090764 - 27 Aug 2025
Viewed by 705
Abstract
To address the problem of low-frequency broadband vibration and noise encountered in engineering, a method for expanding the low-frequency band gap of locally resonant acoustic metamaterials is proposed based on the multi-mode coupling effect. A computational method for the band gap characteristics of [...] Read more.
To address the problem of low-frequency broadband vibration and noise encountered in engineering, a method for expanding the low-frequency band gap of locally resonant acoustic metamaterials is proposed based on the multi-mode coupling effect. A computational method for the band gap characteristics of second-order multi-mode acoustic metamaterials has been derived. By incorporating the vibrational modes obtained from band structure calculations, a systematic investigation of the formation mechanisms of multiple band gaps was conducted, revealing that the emergence of these multiple band gaps stems from the coupled resonance between elastic waves and distinct vibrational modes of the local resonator units. Furthermore, the influence of design parameter variations on the bandgap was investigated, and the strategy of realizing low-frequency multi-order bandgaps by increasing the order of local resonance units was examined. Finally, vibration tests were conducted on the second-, third-, and fourth-order multi-mode coupled acoustic metamaterials. The results demonstrated that these materials exhibit an expanded vibration band gap within the low-frequency range, and the measured frequency response aligns closely with the theoretical calculations. This type of acoustic metamaterial offers viable applicability for controlling low-frequency broadband vibrations. Full article
(This article belongs to the Special Issue Functional Acoustic Metamaterials)
Show Figures

Figure 1

14 pages, 3262 KB  
Article
Integrated LCOS-SLM-Based Laser Slicing System for Aberration Correction in Silicon Carbide Substrate Manufacturing
by Heng Wang, Qiang Cao, Yuting Hou, Lulu Yu, Tianhao Wu, Zhenzhong Wang and Du Wang
Micromachines 2025, 16(8), 930; https://doi.org/10.3390/mi16080930 - 13 Aug 2025
Viewed by 643
Abstract
Silicon carbide (SiC), a wide-bandgap semiconductor, is renowned for its exceptional performance in power electronics and extreme-temperature environments. However, precision low-loss laser slicing of SiC is impeded by energy divergence and crack delamination induced by refractive-index-mismatch interfacial aberrations. This study presents an integrated [...] Read more.
Silicon carbide (SiC), a wide-bandgap semiconductor, is renowned for its exceptional performance in power electronics and extreme-temperature environments. However, precision low-loss laser slicing of SiC is impeded by energy divergence and crack delamination induced by refractive-index-mismatch interfacial aberrations. This study presents an integrated laser slicing system based on a liquid crystal on silicon spatial light modulator (LCOS-SLM) to address aberration-induced focal elongation and energy inhomogeneity. Through dynamic modulation of the laser wavefront via an inverse ray-tracing algorithm, the system corrects spherical aberrations from refractive index mismatch, thus achieving precise energy concentration at wanted depths. A laser power attenuation model based on interface reflection and the Lambert–Beer law is established to calculate the required laser power at varying processing depths. Experimental results demonstrate that aberration correction reduces focal depth to approximately one-third (from 45 μm to 15 μm) and enhances energy concentration, eliminating multi-layer damage and increasing crack propagation length. Post-correction critical power measurements across depths are consistent with model predictions, with maximum error decreasing from >50% to 8.4%. Verification on a 6-inch N-type SiC ingot shows 90 μm damage thickness, confirming system feasibility for SiC laser slicing. The integrated aberration-correction approach provides a novel solution for high-precision SiC substrate processing. Full article
(This article belongs to the Section D:Materials and Processing)
Show Figures

Figure 1

21 pages, 6025 KB  
Article
Solar-Activated Titanium-Based Cu4O3/ZrO2/TiO2 Ternary Nano-Heterojunction for Rapid Photocatalytic Degradation of the Textile Dye Everzol Yellow 3RS
by Saira, Wesam Abd El-Fattah, Muhammad Shahid, Sufyan Ashraf, Zeshan Ali Sandhu, Ahlem Guesmi, Naoufel Ben Hamadi, Mohd Farhan and Muhammad Asam Raza
Catalysts 2025, 15(8), 751; https://doi.org/10.3390/catal15080751 - 6 Aug 2025
Viewed by 731
Abstract
Persistent reactive azo dyes released from textile finishing are a serious threat to water systems, but effective methods using sunlight to break them down are still limited. Everzol Yellow 3RS (EY-3RS) is particularly recalcitrant: past studies have relied almost exclusively on physical adsorption [...] Read more.
Persistent reactive azo dyes released from textile finishing are a serious threat to water systems, but effective methods using sunlight to break them down are still limited. Everzol Yellow 3RS (EY-3RS) is particularly recalcitrant: past studies have relied almost exclusively on physical adsorption onto natural or modified clays and zeolites, and no photocatalytic pathway employing engineered nanomaterials has been documented to date. This study reports the synthesis, characterization, and performance of a visible-active ternary nanocomposite, Cu4O3/ZrO2/TiO2, prepared hydrothermally alongside its binary (Cu4O3/ZrO2) and rutile TiO2 counterparts. XRD, FT-IR, SEM-EDX, UV-Vis, and PL analyses confirm a heterostructured architecture with a narrowed optical bandgap of 2.91 eV, efficient charge separation, and a mesoporous nanosphere-in-matrix morphology. Photocatalytic tests conducted under midsummer sunlight reveal that the ternary catalyst removes 91.41% of 40 ppm EY-3RS within 100 min, markedly surpassing the binary catalyst (86.65%) and TiO2 (81.48%). Activity trends persist across a wide range of operational variables, including dye concentrations (20–100 ppm), catalyst dosages (10–40 mg), pH levels (3–11), and irradiation times (up to 100 min). The material retains ≈ 93% of its initial efficiency after four consecutive cycles, evidencing good reusability. This work introduces the first nanophotocatalytic strategy for EY-3RS degradation and underscores the promise of multi-oxide heterojunctions for solar-driven remediation of colored effluents. Full article
(This article belongs to the Special Issue Recent Advances in Photocatalysis for Environmental Applications)
Show Figures

Figure 1

25 pages, 6493 KB  
Article
Research on Vibration Reduction Characteristics and Optimization of an Embedded Symmetric Distribution Multi-Level Acoustic Black Hole Floating Raft Isolation System
by Xipeng Luo, Xiao Wang, Qiyuan Fan, Jun Wang, Yuanyuan Shi, Jiaqi Liu and Yizhe Huang
Symmetry 2025, 17(8), 1196; https://doi.org/10.3390/sym17081196 - 26 Jul 2025
Viewed by 357
Abstract
The subject of ship structural dynamics has faced new technological obstacles due to scientific and technological advancements, and one of the main concerns in related sectors is how to effectively reduce the vibration levels of different ships. This article focuses on the application [...] Read more.
The subject of ship structural dynamics has faced new technological obstacles due to scientific and technological advancements, and one of the main concerns in related sectors is how to effectively reduce the vibration levels of different ships. This article focuses on the application scenarios of ship floating raft isolation systems, establishing a wave propagation model for acoustic black hole (ABH) structures based on the idea of the ABH effect. Then, a transfer matrix model for serially connected ABH structures is derived, which serves as a basis for subsequent structural designs. Second, the finite element method is used to study the energy distribution and vibration characteristics of a symmetrically distributed periodic non-uniform multi-level ABH structure. Meanwhile, it examines its bandgap distribution under a one-dimensional periodic arrangement and then investigates the vibration properties of non-uniform multi-level ABH thin-plate constructions with different periods from the perspective of engineering applications. Moreover, parameter optimization studies of non-uniform multi-level ABH structures with finite periods are carried out with an emphasis on engineering applications. The first step is to use the design space to determine the range of values for the parameters that need to be optimized. The hyper Latin cubic sampling method is then employed to select samples, and the EI criterion and PSO optimization algorithm are applied to add new samples to improve the Kriging surrogate model’s accuracy. When the optimal structural parameters have been determined, they are applied to the raft rib plate to verify the isolation effect of the non-uniform multi-level ABH structure by analyzing the vibration level difference at specific raft positions before and after embedding it. Full article
Show Figures

Figure 1

14 pages, 4141 KB  
Article
Preparation and Electrochemical Performance of Zinc-Doped Copper Fluoride
by Peng Dou, Pengcheng Liu and Zhiyong Yu
Energies 2025, 18(14), 3752; https://doi.org/10.3390/en18143752 - 15 Jul 2025
Viewed by 339
Abstract
To enhance the specific energy and rate performance of lithium primary batteries, the development of advanced cathode materials with superior electrochemical properties is essential. Fluorides, composed of light fluorine elements and multivalent cations, exhibit multi-electron reaction characteristics, possess a high theoretical voltage, and [...] Read more.
To enhance the specific energy and rate performance of lithium primary batteries, the development of advanced cathode materials with superior electrochemical properties is essential. Fluorides, composed of light fluorine elements and multivalent cations, exhibit multi-electron reaction characteristics, possess a high theoretical voltage, and demonstrate high discharge-specific energy. However, owing to fluorine’s high electronegativity, which leads to the formation of strong ionic bonds with other elements, most fluorides exhibit poor electronic conductivity, thereby constraining their electrochemical performance when used as cathode materials. Copper fluoride (CuF2) exhibits a high theoretical specific capacity and discharge voltage but is constrained by its large bandgap, poor electronic conductivity, and difficulties in synthesizing anhydrous CuF2 materials, which significantly limit its electrochemical activity. In this study, zinc (Zn) was chosen as a dopant for copper fluoride. By combining theoretical calculations with experimental validation, the impacts of Zn doping on the structural stability and electrochemical performance of copper fluoride were comprehensively analyzed. The resultant highly active Zn-doped copper fluoride achieved a discharge specific capacity of 528.6 mAh/g at 0.1 C and 489.1 mAh/g at 1 C, showcasing superior discharge-specific energy and good rate performance. This material holds great potential as a promising cathode candidate for lithium batteries, providing both high specific energy and power density. Full article
Show Figures

Figure 1

34 pages, 1638 KB  
Review
Recent Advances in Bidirectional Converters and Regenerative Braking Systems in Electric Vehicles
by Hamid Naseem and Jul-Ki Seok
Actuators 2025, 14(7), 347; https://doi.org/10.3390/act14070347 - 14 Jul 2025
Cited by 2 | Viewed by 2354
Abstract
As electric vehicles (EVs) continue to advance toward widespread adoption, innovations in power electronics are playing a pivotal role in improving efficiency, performance, and sustainability. This review presents recent progress in bidirectional converters and regenerative braking systems (RBSs), highlighting their contributions to energy [...] Read more.
As electric vehicles (EVs) continue to advance toward widespread adoption, innovations in power electronics are playing a pivotal role in improving efficiency, performance, and sustainability. This review presents recent progress in bidirectional converters and regenerative braking systems (RBSs), highlighting their contributions to energy recovery, battery longevity, and vehicle-to-grid integration. Bidirectional converters support two-way energy flow, enabling efficient regenerative braking and advanced charging capabilities. The integration of wide-bandgap semiconductors, such as silicon carbide and gallium nitride, further enhances power density and thermal performance. The paper evaluates various converter topologies, including single-stage and multi-stage architectures, and assesses their suitability for high-voltage EV platforms. Intelligent control strategies, including fuzzy logic, neural networks, and sliding mode control, are discussed for optimizing braking force and maximizing energy recuperation. In addition, the paper explores the influence of regenerative braking on battery degradation and presents hybrid energy storage systems and AI-based methods as mitigation strategies. Special emphasis is placed on the integration of RBSs in advanced electric vehicle platforms, including autonomous systems. The review concludes by identifying current challenges, emerging trends, and key design considerations to inform future research and practical implementation in electric vehicle energy systems. Full article
(This article belongs to the Special Issue Feature Papers in Actuators for Surface Vehicles)
Show Figures

Figure 1

11 pages, 1841 KB  
Article
Construction of Silane-Modified Diatomite-Magnetic Nanocomposite Superhydrophobic Coatings Using Multi-Scale Composite Principle
by Dan Li, Mei Wu, Rongjun Xia, Jiwen Hu and Fangzhi Huang
Coatings 2025, 15(7), 786; https://doi.org/10.3390/coatings15070786 - 3 Jul 2025
Cited by 1 | Viewed by 658
Abstract
To address the challenges of cotton cellulose materials being susceptible to environmental humidity and pollutant erosion, a strategy for constructing superhydrophobic functional coatings with biomimetic micro–nano composite structures was proposed. Through surface silanization modification, diatomite (DEM) and Fe3O4 nanoparticles were [...] Read more.
To address the challenges of cotton cellulose materials being susceptible to environmental humidity and pollutant erosion, a strategy for constructing superhydrophobic functional coatings with biomimetic micro–nano composite structures was proposed. Through surface silanization modification, diatomite (DEM) and Fe3O4 nanoparticles were functionalized with octyltriethoxysilane (OTS) to prepare superhydrophobic diatomite flakes (ODEM) and OFe3O4 nanoparticles. Following the multi-scale composite principle, ODEM and OFe3O4 nanoparticles were blended and crosslinked via the hydroxyl-initiated ring-opening polymerization of epoxy resin (EP), resulting in an EP/ODEM@OFe3O4 composite coating with hierarchical roughness. Microstructural characterization revealed that the micrometer-scale porous structure of ODEM and the nanoscale protrusions of OFe3O4 form a hierarchical micro–nano topography. The special topography combined with the low surface energy property leads to a contact angle of 158°. Additionally, the narrow bandgap semiconductor characteristic of OFe3O4 induces the localized surface plasmon resonance effect. This enables the coating to attain 80% light absorption across the 350–2500 nm spectrum, and rapidly heat to 45.8 °C within 60 s under 0.5 sun, thereby demonstrating excellent deicing performance. This work provides a theoretical foundation for developing environmentally tolerant superhydrophobic photothermal coatings, which exhibit significant application potential in the field of anti-icing and anti-fouling. Full article
(This article belongs to the Section Corrosion, Wear and Erosion)
Show Figures

Graphical abstract

12 pages, 3225 KB  
Article
Multiple Slater Determinants and Strong Spin-Fluctuations as Key Ingredients of the Electronic Structure of Electron- and Hole-Doped Pb10−xCux(PO4)6O
by Dimitar Pashov, Swagata Acharya, Stephan Lany, Daniel S. Dessau and Mark van Schilfgaarde
Crystals 2025, 15(7), 621; https://doi.org/10.3390/cryst15070621 - 2 Jul 2025
Viewed by 1561
Abstract
LK-99, with chemical formula Pb10−xCux(PO4)6O, was recently reported to be a room-temperature superconductor. While this claim has met with little support in a flurry of ensuing work, a variety of calculations (mostly based on [...] Read more.
LK-99, with chemical formula Pb10−xCux(PO4)6O, was recently reported to be a room-temperature superconductor. While this claim has met with little support in a flurry of ensuing work, a variety of calculations (mostly based on density-functional theory) have demonstrated that the system possesses some unusual characteristics in the electronic structure, in particular flat bands. We have established previously that within DFT, the system is insulating with many characteristics resembling the classic cuprates, provided the structure is not constrained to the P3(143) symmetry nominally assigned to it. Here we describe the basic electronic structure of LK-99 within self-consistent many-body perturbative approach, quasiparticle self-consistent GW (QSGW) approximation and their diagrammatic extensions. QSGW predicts that pristine LK-99 is indeed a Mott/charge transfer insulator, with a bandgap gap in excess of 3 eV, whether or not constrained to the P3(143) symmetry. When Pb9Cu(PO4)6O is hole-doped, the valence bands modify only slightly, and a hole pocket appears. However, two solutions emerge: a high-moment solution with the Cu local moment aligned parallel to neighbors, and a low-moment solution with Cu aligned antiparallel to its environment. In the electron-doped case the conduction band structure changes significantly: states of mostly Pb character merge with the formerly dispersionless Cu d state, and high-spin and low spin solutions once again appear. Thus we conclude that with suitable doping, the ground state of the system is not adequately described by a band picture, and that strong correlations are likely. Irrespective of whether this system class hosts superconductivity or not, the transition of Pb10(PO4)6O from being a band insulator to Pb9Cu(PO4)6O, a Mott insulator, and multi-determinantal nature of doped Mott physics make this an extremely interesting case-study for strongly correlated many-body physics. Full article
Show Figures

Figure 1

12 pages, 13780 KB  
Article
Additive Manufacturing of Composite Structures with Transverse Thermoelectricity
by Weixiao Gao, Shuai Yu, Buntong Tan and Fei Ren
J. Compos. Sci. 2025, 9(7), 344; https://doi.org/10.3390/jcs9070344 - 2 Jul 2025
Viewed by 561
Abstract
This study investigates the application of additive manufacturing (AM) in fabricating transverse thermoelectric (TTE) composites, demonstrating the feasibility of this methodology for TTE material synthesis. Zinc oxide (ZnO), a wide-bandgap semiconductor with moderate thermoelectric performance, and copper (Cu), a highly conductive metal, were [...] Read more.
This study investigates the application of additive manufacturing (AM) in fabricating transverse thermoelectric (TTE) composites, demonstrating the feasibility of this methodology for TTE material synthesis. Zinc oxide (ZnO), a wide-bandgap semiconductor with moderate thermoelectric performance, and copper (Cu), a highly conductive metal, were selected as base materials. These were formulated into stable paste-like feedstocks for direct ink writing (DIW). A custom dual-nozzle 3D printer was developed to precisely deposit these materials in pre-designed architectures. The resulting structures exhibited measurable transverse Seebeck effects. Unlike prior TE research primarily focused on longitudinal configurations, this work demonstrates a novel AM-enabled strategy that integrates directional compositional anisotropy, embedded metal–semiconductor interfaces, and scalable multi-material printing to realize TTE behavior. The approach offers a cost-effective and programmable pathway toward next-generation energy harvesting and thermal management systems. Full article
(This article belongs to the Special Issue 3D Printing and Additive Manufacturing of Composites)
Show Figures

Figure 1

43 pages, 9107 KB  
Review
A Review on Pre-, In-Process, and Post-Synthetic Strategies to Break the Surface Area Barrier in g-C3N4 for Energy Conversion and Environmental Remediation
by Mingming Gao, Minghao Zhao, Qianqian Yang, Lan Bao, Liwei Chen, Wei Liu and Jing Feng
Nanomaterials 2025, 15(13), 956; https://doi.org/10.3390/nano15130956 - 20 Jun 2025
Viewed by 616
Abstract
Nanomaterials with large specific surface area (SSA) have emerged as pivotal platforms for energy storage and environmental remediation, primarily due to their enhanced active site exposure, improved mass transport capabilities, and superior interfacial reactivity. Among them, polymeric carbon nitride (g-C3N4 [...] Read more.
Nanomaterials with large specific surface area (SSA) have emerged as pivotal platforms for energy storage and environmental remediation, primarily due to their enhanced active site exposure, improved mass transport capabilities, and superior interfacial reactivity. Among them, polymeric carbon nitride (g-C3N4) has garnered significant attention in energy and environmental applications owing to its visible-light-responsive bandgap (~2.7 eV), exceptional thermal/chemical stability, and earth-abundant composition. However, the practical performance of g-C3N4 is fundamentally constrained by intrinsic limitations, including its inherently low SSA (<20 m2/g via conventional thermal polymerization), rapid recombination of photogenerated carriers, and inefficient charge transfer kinetics. Notably, the theoretical SSA of g-C3N4 reaches 2500 m2/g, yet achieving this value remains challenging due to strong interlayer van der Waals interactions and structural collapse during synthesis. Recent advances demonstrate that state-of-the-art strategies can elevate its SSA to 50–200 m2/g. To break this surface area barrier, advanced strategies achieve SSA enhancement through three primary pathways: pre-treatment (molecular and supramolecular precursor design), in process (templating and controlled polycondensation), and post-processing (chemical exfoliation and defect engineering). This review systematically examines controllable synthesis methodologies for high-SSA g-C3N4, analyzing how SSA amplification intrinsically modulates band structures, extends carrier lifetimes, and boosts catalytic efficiencies. Future research should prioritize synergistic multi-stage engineering to approach the theoretical SSA limit (2500 m2/g) while preserving robust optoelectronic properties. Full article
Show Figures

Graphical abstract

Back to TopTop