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Search Results (208)

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Keywords = TMDs (transition metal dichalcogenides)

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22 pages, 694 KB  
Article
Compact, Energy-Efficient, High-Speed Electro-Optic Microring Modulator Based on Graphene-TMD 2D Materials
by Jair A. de Carvalho, Daniel M. Neves, Vinicius V. Peruzzi, Anderson L. Sanches, Antonio Jurado-Navas, Thiago Raddo, Shyqyri Haxha and Jose C. Nascimento
Nanomaterials 2026, 16(3), 167; https://doi.org/10.3390/nano16030167 (registering DOI) - 26 Jan 2026
Abstract
The continued performance scaling of AI gigafactories requires the development of energy-efficient devices to meet the rapidly growing global demand for AI services. Emerging materials offer promising opportunities to reduce energy consumption in such systems. In this work, we propose an electro-optic microring [...] Read more.
The continued performance scaling of AI gigafactories requires the development of energy-efficient devices to meet the rapidly growing global demand for AI services. Emerging materials offer promising opportunities to reduce energy consumption in such systems. In this work, we propose an electro-optic microring modulator that exploits a graphene (Gr) and transition-metal dichalcogenide (TMD) interface for phase modulation of data-bit signals. The interface is configured as a capacitor composed of a top Gr layer and a bottom WSe2 layer, separated by a dielectric Al2O3 film. This multilayer stack is integrated onto a silicon (Si) waveguide such that the microring is partially covered, with coverage ratios varying from 10% to 100%. In the design with the lowest power consumption, the device operates at 26.3 GHz and requires an energy of 5.8 fJ/bit under 10% Gr–TMD coverage while occupying an area of only 20 μm2. Moreover, a modulation efficiency of VπL= 0.203 V·cm and an insertion loss of 6.7 dB are reported for the 10% coverage. The Gr-TMD-based microring modulator can be manufactured with standard fabrication techniques. This work introduces a compact microring modulator designed for dense system integration, supporting high-speed, energy-efficient data modulation and positioning it as a promising solution for sustainable AI gigafactories. Full article
(This article belongs to the Section 2D and Carbon Nanomaterials)
16 pages, 3808 KB  
Article
Graphene/Chalcogenide Heterojunctions for Enhanced Electric-Field-Sensitive Dielectric Performance: Combining DFT and Experimental Study
by Bo Li, Nanhui Zhang, Yuxing Lei, Mengmeng Zhu and Haitao Yang
Nanomaterials 2026, 16(2), 128; https://doi.org/10.3390/nano16020128 - 18 Jan 2026
Viewed by 185
Abstract
Electric-field-sensitive dielectrics play a crucial role in electric field induction sensing and related capacitive conversion, with interfacial polarization and charge accumulation largely determining the signal output. This paper introduces graphene/transition metal dichalcogenide (TMD) (MoSe2, MoS2, and WS2) [...] Read more.
Electric-field-sensitive dielectrics play a crucial role in electric field induction sensing and related capacitive conversion, with interfacial polarization and charge accumulation largely determining the signal output. This paper introduces graphene/transition metal dichalcogenide (TMD) (MoSe2, MoS2, and WS2) heterojunctions as functional fillers to enhance the dielectric response and electric-field-induced voltage output of flexible polydimethylsiloxane (PDMS) composites. Density functional theory (DFT) calculations were used to evaluate the stability of the heterojunctions and interfacial electronic modulation, including binding behavior, charge redistribution, and Fermi level-referenced band structure/total density of states (TDOS) characteristics. The calculations show that the graphene/TMD interface is primarily controlled by van der Waals forces, exhibiting negative binding energy and significant interfacial charge rearrangement. Based on these theoretical results, graphene/TMD heterojunction powders were synthesized and incorporated into polydimethylsiloxane (PDMS). Structural characterization confirmed the presence of face-to-face interfacial contacts and consistent elemental co-localization within the heterojunction filler. Dielectric spectroscopy analysis revealed an overall improvement in the dielectric constant of the composite materials while maintaining a stable loss trend within the studied frequency range. More importantly, calibrated electric field induction tests (based on pure PDMS) showed a significant enhancement in the voltage response of all heterojunction composite materials, with the WS2-G/PDMS system exhibiting the best performance, exhibiting an electric-field-induced voltage amplitude 7.607% higher than that of pure PDMS. This work establishes a microscopic-to-macroscopic correlation between interfacial electronic modulation and electric-field-sensitive dielectric properties, providing a feasible interface engineering strategy for high-performance flexible dielectric sensing materials. Full article
(This article belongs to the Section 2D and Carbon Nanomaterials)
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24 pages, 2672 KB  
Review
Graphene-, Transition Metal Dichalcogenide-, and MXenes Material-Based Flexible Optoelectronic Devices
by Yingying Wang, Geyi Zhou, Zhisheng Zhang and Zhihong Zhu
Nanomaterials 2026, 16(1), 25; https://doi.org/10.3390/nano16010025 - 24 Dec 2025
Viewed by 655
Abstract
Characterized by their atomic thickness and exceptional mechanical properties, two-dimensional (2D) materials offer a compelling platform for developing flexible optoelectronic devices that maintain performance stability under mechanical deformation such as bending and stretching. This review systematically summarizes and critically discusses the recent advancements [...] Read more.
Characterized by their atomic thickness and exceptional mechanical properties, two-dimensional (2D) materials offer a compelling platform for developing flexible optoelectronic devices that maintain performance stability under mechanical deformation such as bending and stretching. This review systematically summarizes and critically discusses the recent advancements in applying three prominent 2D material categories—graphene, transition metal dichalcogenides (TMDs, e.g., MoS2 and WS2), and MXenes—in flexible optoelectronics. We focus on their specific applications in flexible photodetectors, light-emitting devices, optical modulators, solar cells, and gas sensors. A particular emphasis is placed on analyzing the unique physicochemical properties of these materials and elucidating the underlying mechanisms that enable bandgap stability and efficient optoelectronic conversion under mechanical strain. The potential of these devices demonstrated here underscores their broad application prospects in wearable systems and self-powered electronic platforms. Finally, we conclude by discussing the challenges and future prospects in the field of flexible optoelectronic devices based on two-dimensional materials. Full article
(This article belongs to the Section Nanoelectronics, Nanosensors and Devices)
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32 pages, 10076 KB  
Review
Phase Engineering of Nanomaterials: Tailoring Crystal Phases for High-Performance Batteries and Supercapacitors
by Ramanadha Mangiri, Nandarapu Purushotham Reddy and Joonho Bae
Micromachines 2025, 16(11), 1289; https://doi.org/10.3390/mi16111289 - 16 Nov 2025
Cited by 1 | Viewed by 1179
Abstract
Phase engineering has emerged as a powerful method for manipulating the structural and electrical characteristics of nanomaterials, resulting in significant enhancements in their electrochemical performance. This paper examines the correlation among morphology, crystal phase, and electrochemical performance of nanomaterials engineered for high-performance batteries [...] Read more.
Phase engineering has emerged as a powerful method for manipulating the structural and electrical characteristics of nanomaterials, resulting in significant enhancements in their electrochemical performance. This paper examines the correlation among morphology, crystal phase, and electrochemical performance of nanomaterials engineered for high-performance batteries and supercapacitors. The discourse starts with phase engineering methodologies in metal-based nanomaterials, including the direct synthesis of atypical phases and phase transformation mechanisms that provide metastable or mixed-phase structures. Special emphasis is placed on the impact of these synthetic processes on morphology and surface properties, which subsequently regulate charge transport and ion diffusion during electrochemical reactions. Additionally, the investigation of phase engineering in transition metal dichalcogenide (TMD) nanomaterials highlights how regulated phase transitions and heterophase structures improve active sites and conductivity. The optimized phase-engineered ZnCo2O4@Ti3C2 composite exhibited a high specific capacitance of 1013.5 F g−1, a reversible capacity of 732.5 mAh g−1, and excellent cycling stability, with over 85% retention after 10,000 cycles. These results confirm that phase and morphological control can substantially enhance charge transport and electrochemical durability, offering promising strategies for next-generation batteries and supercapacitors. The paper concludes by summarizing current advancements in phase-engineered nanomaterials for lithium-ion, sodium-ion, and lithium-sulfur batteries, along with supercapacitors, emphasizing the significant relationship between phase state, morphology, and energy storage efficacy. This study offers a comprehensive understanding of the optimal integration of phase and morphological control in designing enhanced electrode materials for next-generation electrochemical energy storage systems. Full article
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23 pages, 5282 KB  
Article
Bilayer TMDs for Future FETs: Carrier Dynamics and Device Implications
by Shoaib Mansoori, Edward Chen and Massimo Fischetti
Nanomaterials 2025, 15(19), 1526; https://doi.org/10.3390/nano15191526 - 5 Oct 2025
Viewed by 854
Abstract
Bilayer transition metal dichalcogenides (TMDs) are promising materials for next-generation field-effect transistors (FETs) due to their atomically thin structure and favorable transport properties. In this study, we employ density functional theory (DFT) to compute the electronic band structures and phonon dispersions of bilayer [...] Read more.
Bilayer transition metal dichalcogenides (TMDs) are promising materials for next-generation field-effect transistors (FETs) due to their atomically thin structure and favorable transport properties. In this study, we employ density functional theory (DFT) to compute the electronic band structures and phonon dispersions of bilayer WS2, WSe2, and MoS2, and the electron-phonon scattering rates using the EPW (electron-phonon Wannier) method. Carrier transport is then investigated within a semiclassical full-band Monte Carlo framework, explicitly including intrinsic electron-phonon scattering, dielectric screening, scattering with hybrid plasmon–phonon interface excitations (IPPs), and scattering with ionized impurities. Freestanding bilayers exhibit the highest mobilities, with hole mobilities reaching 2300 cm2/V·s in WS2 and 1300 cm2/V·s in WSe2. Using hBN as the top gate dielectric preserves or slightly enhances mobility, whereas HfO2 significantly reduces transport due to stronger IPP and remote phonon scattering. Device-level simulations of double-gate FETs indicate that series resistance strongly limits performance, with optimized WSe2 pFETs achieving ON currents of 820 A/m, and a 10% enhancement when hBN replaces HfO2. These results show the direct impact of first-principles electronic structure and scattering physics on device-level transport, underscoring the importance of material properties and the dielectric environment in bilayer TMDs. Full article
(This article belongs to the Special Issue First Principles Study of Two-Dimensional Materials)
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27 pages, 2502 KB  
Review
Recent Advances in Transition Metal Dichalcogenide-Based Electrodes for Asymmetric Supercapacitors
by Tianyi Gao, Yue Li, Chin Wei Lai, Ping Xiang, Irfan Anjum Badruddin, Pooja Dhiman and Amit Kumar
Catalysts 2025, 15(10), 945; https://doi.org/10.3390/catal15100945 - 1 Oct 2025
Cited by 3 | Viewed by 1492
Abstract
The global transition toward renewable energy sources has intensified in response to escalating environmental challenges. Nevertheless, the inherent intermittency and instability of renewable energy necessitate the development of reliable energy storage technologies. Supercapacitors are particularly notable for their high specific capacitance, rapid charge [...] Read more.
The global transition toward renewable energy sources has intensified in response to escalating environmental challenges. Nevertheless, the inherent intermittency and instability of renewable energy necessitate the development of reliable energy storage technologies. Supercapacitors are particularly notable for their high specific capacitance, rapid charge and discharge capability, and exceptional cycling stability. Concurrently, the increasing demand for efficient and sustainable energy storage systems has stimulated interest in multifunctional electrode materials that integrate electrocatalytic activity with electrochemical energy storage. Two-dimensional transition metal dichalcogenides (TMDs), owing to their distinctive layered structures, large surface areas, phase state, energy band structure, and intrinsic electrocatalytic properties, have emerged as promising candidates to achieve dual functionality in electrocatalysis and electrochemical energy storage for asymmetric supercapacitors (ASCs). Specifically, their unique electronic properties and catalytic characteristics promote reversible Faradaic reactions and accelerate charge transfer kinetics, thus markedly enhancing charge storage efficiency and energy density. This review highlights recent advances in TMD-based multifunctional electrodes. It elucidates mechanistic correlations between intrinsic electronic properties and electrocatalytic reactions that influence charge storage processes, guiding the rational design of high-performance ASC systems. Full article
(This article belongs to the Special Issue Catalysis Accelerating Energy and Environmental Sustainability)
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10 pages, 1872 KB  
Article
Preparation and Performance Exploration of MoS2/WSe2 Van Der Waals Heterojunction Tunneling Field-Effect Transistor
by Chen Chong, Hongxia Liu, Shulong Wang, Shupeng Chen and Cong Yan
Micromachines 2025, 16(10), 1108; https://doi.org/10.3390/mi16101108 - 29 Sep 2025
Viewed by 1231
Abstract
Due to their high carrier mobility, thermal conductivity, and exceptional foldability, transition metal dichalcogenides (TMDs) present promising prospects in the realm of flexible semiconductor devices. Concurrently, tunneling field-effect transistors (TFETs) have garnered significant attention owing to their low energy consumption. This study investigates [...] Read more.
Due to their high carrier mobility, thermal conductivity, and exceptional foldability, transition metal dichalcogenides (TMDs) present promising prospects in the realm of flexible semiconductor devices. Concurrently, tunneling field-effect transistors (TFETs) have garnered significant attention owing to their low energy consumption. This study investigates a TMD van der Waals heterojunction (VdWH) TFET, specifically by fabricating MoS2 field-effect transistors (FETs), WSe2 FETs, and MoS2/WSe2 VdWH TFETs. The N-type characteristics of the MoS2 and P-type characteristics of WSe2 are established through an analysis of the electrical characteristics of the respective FETs. Finally, we analyze the energy band and electrical characteristics of the MoS2/WSe2 VdWH TFET, which exhibits a drain current switching ratio of 105. This study provides valuable insights for the development of novel low-power devices. Full article
(This article belongs to the Section D1: Semiconductor Devices)
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51 pages, 8270 KB  
Review
Advances of Functional Two-Dimensional Nanomaterials in the Treatment of Oral Diseases
by Ziyi Xu, Rong Meng, Yue Wang, Yuxuan Sun, Jiao Qiao, Yang Yao and Qiang Peng
Bioengineering 2025, 12(10), 1021; https://doi.org/10.3390/bioengineering12101021 - 25 Sep 2025
Cited by 2 | Viewed by 1746
Abstract
Two-dimensional (2D) nanomaterials have attracted growing attention in the field of oral medicine due to their unique physicochemical properties, including high surface area, adjustable surface chemistry, and exceptional biocompatibility. In recent years, a variety of 2D materials, including graphene-based nanomaterials, black phosphorus nanosheets, [...] Read more.
Two-dimensional (2D) nanomaterials have attracted growing attention in the field of oral medicine due to their unique physicochemical properties, including high surface area, adjustable surface chemistry, and exceptional biocompatibility. In recent years, a variety of 2D materials, including graphene-based nanomaterials, black phosphorus nanosheets, MXenes, layered double hydroxides (LDHs), transition metal dichalcogenides (TMDs), 2D metal–organic frameworks (MOFs), and polymer-based nanosheets, have been extensively explored for the treatment of oral diseases. These functional materials demonstrate multiple therapeutic capabilities, such as antibacterial activity, reactive oxygen species (ROS) scavenging, anti-inflammatory modulation, and promotion of tissue regeneration. In this review, we systematically summarize the recent advances of 2D nanomaterials in the treatment of common oral diseases such as dental caries, periodontitis, oral cancer and peri-implantitis. The underlying therapeutic mechanisms are also summarized. Challenges for clinical translation of these nanomaterials and the possible solutions are discussed as well. Full article
(This article belongs to the Special Issue Nano–Bio Interface—Second Edition)
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16 pages, 4935 KB  
Article
Interlayer-Spacing-Modification of MoS2 via Inserted PANI with Fast Kinetics for Highly Reversible Aqueous Zinc-Ion Batteries
by Shuang Fan, Yangyang Gong, Suliang Chen and Yingmeng Zhang
Micromachines 2025, 16(7), 754; https://doi.org/10.3390/mi16070754 - 26 Jun 2025
Cited by 1 | Viewed by 1670
Abstract
Layered transition metal dichalcogenides (TMDs) have gained considerable attention as promising cathodes for aqueous zinc-ion batteries (AZIBs) because of their tunable interlayer architecture and rich active sites for Zn2+ storage. However, unmodified TMDs face significant challenges, including limited redox activity, sluggish kinetics, [...] Read more.
Layered transition metal dichalcogenides (TMDs) have gained considerable attention as promising cathodes for aqueous zinc-ion batteries (AZIBs) because of their tunable interlayer architecture and rich active sites for Zn2+ storage. However, unmodified TMDs face significant challenges, including limited redox activity, sluggish kinetics, and insufficient structural stability during cycling. These limitations are primarily attributed to their narrow interlayer spacing, strong electrostatic interactions, the large ionic hydration radius, and their high binding energy of Zn2+ ions. To address these restrictions, an in situ organic polyaniline (PANI) intercalation strategy is proposed to construct molybdenum disulfide (MoS2)-based cathodes with extended layer spacing, thereby improving the zinc storage capabilities. The intercalation of PANI effectively enhances interplanar spacing of MoS2 from 0.63 nm to 0.98 nm, significantly facilitating rapid Zn2+ diffusion. Additionally, the π-conjugated electron structure introduced by PANI effectively shields the electrostatic interaction between Zn2+ ions and the MoS2 host, thereby promoting Zn2+ diffusion kinetics. Furthermore, PANI also serves as a structural stabilizer, maintaining the integrity of the MoS2 layers during Zn-ion insertion/extraction processes. Furthermore, the conductive conjugated PANI boosts the ionic and electronic conductivity of the electrodes. As expected, the PANI–MoS2 electrodes exhibit exceptional electrochemical performance, delivering a high specific capacity of 150.1 mA h g−1 at 0.1 A g−1 and retaining 113.3 mA h g−1 at 1 A g−1, with high capacity retention of 81.2% after 500 cycles. Ex situ characterization techniques confirm the efficient and reversible intercalation/deintercalation of Zn2+ ions within the PANI–MoS2 layers. This work supplies a rational interlayer engineering strategy to optimize the electrochemical performance of MoS2-based electrodes. By addressing the structural and kinetic limitations of TMDs, this approach offers new insights into the development of high-performance AZIBs for energy storage applications. Full article
(This article belongs to the Special Issue Advancing Energy Storage Techniques: Chemistry, Materials and Devices)
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36 pages, 5287 KB  
Review
Preparation, Properties, and Applications of 2D Janus Transition Metal Dichalcogenides
by Haoyang Zhao and Jeffrey Chor Keung Lam
Crystals 2025, 15(6), 567; https://doi.org/10.3390/cryst15060567 - 16 Jun 2025
Cited by 6 | Viewed by 4278
Abstract
Structural symmetry significantly influences the fundamental characteristics of two-dimensional (2D) materials. In conventional transition metal dichalcogenides (TMDs), the absence of in-plane symmetry introduces distinct optoelectronic behaviors. To further enrich the functionality of such materials, recent efforts have focused on disrupting out-of-plane symmetry—often through [...] Read more.
Structural symmetry significantly influences the fundamental characteristics of two-dimensional (2D) materials. In conventional transition metal dichalcogenides (TMDs), the absence of in-plane symmetry introduces distinct optoelectronic behaviors. To further enrich the functionality of such materials, recent efforts have focused on disrupting out-of-plane symmetry—often through the application of external electric fields—which leads to the generation of an intrinsic electric field within the lattice. This internal field alters the electronic band configuration, broadening the material’s applicability in fields like optoelectronics and spintronics. Among various engineered 2D systems, Janus transition metal dichalcogenides (JTMDs) have shown as a compelling class. Their intrinsic structural asymmetry, resulting from the replacement of chalcogen atoms on one side, naturally breaks out-of-plane symmetry and surpasses certain limitations of traditional TMDs. This unique arrangement imparts exceptional physical properties, such as vertical piezoelectric responses, pronounced Rashba spin splitting, and notable changes in Raman modes. These distinctive traits position JTMDs as promising candidates for use in sensors, spintronic devices, valleytronic applications, advanced optoelectronics, and catalytic processes. In this Review, we discuss the synthesis methods, structural features, properties, and potential applications of 2D JTMDs. We also highlight key challenges and propose future research directions. Compared with previous reviews, this work focusing on the latest scientific research breakthroughs and discoveries in recent years, not only provides an in-depth discussion of the out-of-plane asymmetry in JTMDs but also emphasizes recent advances in their synthesis techniques and the prospects for scalable industrial production. In addition, it highlights the rapid development of JTMD-based applications in recent years and explores their potential integration with machine learning and artificial intelligence for the development of next-generation intelligent devices. Full article
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9 pages, 2327 KB  
Article
First-Principles Calculations for the H Adsorption of Monolayer MoTe2 for Hydrogen Evolution Reaction
by Xujing Gao and Jianling Meng
Inorganics 2025, 13(6), 197; https://doi.org/10.3390/inorganics13060197 - 13 Jun 2025
Cited by 1 | Viewed by 1258
Abstract
Hydrogen from water splitting is seen as a promising future energy source. Pt electrochemical catalysts with an ideal hydrogen evolution reaction (HER) performance face problems relating to their cost and scarcity. Research into transition metal dichalcogenides (TMDs) as alternative catalysts is in demand. [...] Read more.
Hydrogen from water splitting is seen as a promising future energy source. Pt electrochemical catalysts with an ideal hydrogen evolution reaction (HER) performance face problems relating to their cost and scarcity. Research into transition metal dichalcogenides (TMDs) as alternative catalysts is in demand. In our work, H adsorption on monolayer MoTe2 is investigated at different sites and rates. Through structure and charge distribution analysis, it is found that uniform charge distribution facilitates H adsorption. In addition, the enhanced electronic density of states and reduced band gap calculated by the electronic energy band structure are advantageous for H adsorption. And the Mo edge of MoTe2 is sensitive to the H adsorption rate. Finally, the H adsorbed on the sites is stable at 600 K, as shown in molecular dynamics (MD) calculations. Our work provides a further mechanism for H adsorption on MoTe2. Full article
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11 pages, 2010 KB  
Article
Metasurface-Enhanced Infrared Photodetection Using Layered van der Waals MoSe2
by Jinchun Li, Zhixiang Xie, Tianxiang Zhao, Hongliang Li, Di Wu and Xuechao Yu
Nanomaterials 2025, 15(12), 913; https://doi.org/10.3390/nano15120913 - 12 Jun 2025
Viewed by 1179
Abstract
Transition metal dichalcogenide (TMD) materials have demonstrated promising potential for applications in photodetection due to their tunable bandgaps, high carrier mobility, and strong light absorption capabilities. However, limited by their intrinsic bandgaps, TMDs are unable to efficiently absorb photons with energies below the [...] Read more.
Transition metal dichalcogenide (TMD) materials have demonstrated promising potential for applications in photodetection due to their tunable bandgaps, high carrier mobility, and strong light absorption capabilities. However, limited by their intrinsic bandgaps, TMDs are unable to efficiently absorb photons with energies below the bandgap, resulting in a significant attenuation of photoresponse in spectral regions beyond the bandgap. This inherently restricts their broadband photodetection performance. By introducing metasurface structures consisting of subwavelength optical elements, localized plasmon resonance effects can be exploited to overcome this absorption limitation, significantly enhancing the light absorption of TMD films. Additionally, the heterogeneous integration process between the metasurface and two-dimensional materials offers low-temperature compatibility advantages, effectively avoiding the limitations imposed by high-temperature doping processes in traditional semiconductor devices. Here, we systematically investigate metasurface-enhanced two-dimensional MoSe2 photodetectors, demonstrating broadband responsivity extension into the mid-infrared spectrum via precise control of metasurface structural dimensions. The optimized device possesses a wide spectrum response ranging from 808 nm to 10 μm, and the responsivity (R) and specific detection rate (D*) under 4 μm illumination achieve 7.1 mA/W and 1.12 × 108 Jones, respectively. Distinct metasurface configurations exhibit varying impacts on optical absorption characteristics and detection spectral ranges, providing experimental foundations for optimizing high-performance photodetectors. This work establishes a practical pathway for developing broadband optoelectronic devices through nanophotonic structure engineering. Full article
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18 pages, 9120 KB  
Review
Atomic Manipulation of 2D Materials by Scanning Tunneling Microscopy: Advances in Graphene and Transition Metal Dichalcogenides
by Tingting Wang, Lingtao Zhan, Teng Zhang, Yan Li, Haolong Fan, Xiongbai Cao, Zhenru Zhou, Qinze Yu, Cesare Grazioli, Huixia Yang, Quanzhen Zhang and Yeliang Wang
Nanomaterials 2025, 15(12), 888; https://doi.org/10.3390/nano15120888 - 8 Jun 2025
Viewed by 3514
Abstract
This review provides a comprehensive overview of recent advances in atomic-scale manipulation of two-dimensional (2D) materials, particularly graphene and transition metal dichalcogenides (TMDs), using scanning tunneling microscopy (STM). STM, originally developed for high-resolution imaging, has evolved into a powerful tool for precise manipulation [...] Read more.
This review provides a comprehensive overview of recent advances in atomic-scale manipulation of two-dimensional (2D) materials, particularly graphene and transition metal dichalcogenides (TMDs), using scanning tunneling microscopy (STM). STM, originally developed for high-resolution imaging, has evolved into a powerful tool for precise manipulation of 2D materials, enabling translational, rotational, folding, picking, and etching operations at the nanoscale. These manipulation techniques are critical for constructing custom heterostructures, tuning electronic properties, and exploring dynamic behaviors such as superlubricity, strain engineering, phase transitions, and quantum confinement effects. We detail the fundamental mechanisms behind STM-based manipulations and present representative experimental results, including stress-induced bandgap modulation, tip-induced phase transformations, and atomic-precision nanostructuring. The versatility and cleanliness of STM offer unique advantages over conventional transfer methods, paving the way for innovative applications in nanoelectronics, quantum devices, and 2D material-based systems. Finally, we discuss current challenges and future prospects of integrating STM manipulation with advanced computational techniques for automated nanofabrication. Full article
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15 pages, 1759 KB  
Article
Quantum Simulation Study of Ultrascaled Label-Free DNA Sensors Based on Sub-10 nm Dielectric-Modulated TMD FETs: Sensitivity Enhancement Through Downscaling
by Khalil Tamersit, Abdellah Kouzou, José Rodriguez and Mohamed Abdelrahem
Micromachines 2025, 16(6), 690; https://doi.org/10.3390/mi16060690 - 8 Jun 2025
Viewed by 1711
Abstract
In this article, the role of downscaling in boosting the sensitivity of a novel label-free DNA sensor based on sub-10 nm dielectric-modulated transition metal dichalcogenide field-effect transistors (DM-TMD FET) is presented through a quantum simulation approach. The computational method is based on self-consistently [...] Read more.
In this article, the role of downscaling in boosting the sensitivity of a novel label-free DNA sensor based on sub-10 nm dielectric-modulated transition metal dichalcogenide field-effect transistors (DM-TMD FET) is presented through a quantum simulation approach. The computational method is based on self-consistently solving the quantum transport equation coupled with electrostatics under ballistic transport conditions. The concept of dielectric modulation was employed as a label-free biosensing mechanism for detecting neutral DNA molecules. The computational investigation is exhaustive, encompassing the band profile, charge density, current spectrum, local density of states, drain current, threshold voltage behavior, sensitivity, and subthreshold swing. Four TMD materials were considered as the channel material, namely, MoS2, MoSe2, MoTe2, and WS2. The investigation of the scaling capability of the proposed label-free gate-all-around DM-TMDFET-based biosensor showed that gate downscaling is a valuable approach not only for producing small biosensors but also for obtaining high biosensing performance. Furthermore, we found that reducing the device size from 12 nm to 9 nm yields only a moderate improvement in sensitivity, whereas a more aggressive downscaling to 6 nm leads to a significant enhancement in sensitivity, primarily due to pronounced short-channel effects. The obtained results have significant technological implications, showing that miniaturization enhances the sensitivity of the proposed nanobiosensor. Full article
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13 pages, 5840 KB  
Article
CrS2 Supported Transition Metal Single Atoms as Efficient Bifunctional Electrocatalysts: A Density Functional Theory Study
by Ying Wang
ChemEngineering 2025, 9(3), 43; https://doi.org/10.3390/chemengineering9030043 - 23 Apr 2025
Viewed by 1491
Abstract
Transition metal dichalcogenides (TMDs) are recognized for their exceptional energy storage capabilities and electrochemical potential, stemming from their unique electronic structures and physicochemical properties. In this study, we focus on chromium disulfide (CrS2) as the primary research subject and employ a [...] Read more.
Transition metal dichalcogenides (TMDs) are recognized for their exceptional energy storage capabilities and electrochemical potential, stemming from their unique electronic structures and physicochemical properties. In this study, we focus on chromium disulfide (CrS2) as the primary research subject and employ a combination of density functional theory (DFT) and first-principle calculations to investigate the effects of incorporating transition metal elements onto the surface of CrS2. This approach aims to develop a class of bifunctional single-atom catalysts with high efficiency and to analyze their catalytic performance in detail. Theoretical calculations reveal that the Au@CrS2 single-atom catalyst demonstrates outstanding catalytic activity, with a low overpotential of 0.34 V for the oxygen evolution reaction (OER) and 0.37 V for the oxygen reduction reaction (ORR). These results establish Au@CrS2 as a highly effective bifunctional catalyst. Moreover, the catalytic performance of Au@CrS2 surpasses that of traditional commercial catalysts, such as Pt (0.45 V) and IrO2 (0.56 V), suggesting its potential to replace these materials in fuel cells and other energy applications. This study provides a novel approach to the design and development of advanced transition metal-based catalytic materials. Full article
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