{"title":"Unveiling the energy storage potential of Janus YSSe, ZrSSe and NbSSe monolayers as anode materials for Mg-ion batteries: DFT and AIMD insights.","authors":"Akash Kumer Paul, Siraj Ud Daula Shamim, Md Rony Hossain, Md Mahbubur Rahman Bhuiyan, Farid Ahmed, Budrun Neher","doi":"10.1039/d6na00607h","DOIUrl":"https://doi.org/10.1039/d6na00607h","url":null,"abstract":"<p><p>In the rapidly developing domain of energy storage, magnesium-ion batteries (MIBs) provide an attractive, cost-effective and potentially high-performance alternative to conventional lithium-ion batteries. We systematically explore YSSe, ZrSSe and NbSSe monolayers as promising host candidates for MIBs using density functional theory. The unique atomic configuration of these nanosheets exhibits significant stability, as validated by cohesive energy, formation energy, phonon dispersion, AIMD simulation, vibrational analysis and Gibbs free energy studies. This study reveals the electronic properties of the pristine nanosheets, among which YSSe and NbSSe display metallic attributes, while ZrSSe has a semiconducting bandgap of 1.33 eV (HSE06). Upon magnesiation, all the nanosheets undergo transition to metallic states, which indicates that during the charging process, electrons are transported efficiently. The computed diffusion barrier of Mg ions indicates that diffusion at the Se site is more favorable compared with that at the S site, and NbSSe shows the lowest migration barrier (0.61 eV). Without structural deformation, all three nanosheets can accommodate the maximum number of Mg atoms, and the theoretical specific capacities are 953.368, 942.341 and 759.337 mAh g<sup>-1</sup>, with the corresponding open-circuit voltages being 1.02, 0.86 and 0.93 V for the YSSe, ZrSSe and NbSSe nanosheets, respectively. Convex-hull analysis further validates the maximum Mg-loading capacities of 32 Mg atoms for YSSe and ZrSSe and 26 Mg atoms for NbSSe, confirming the thermodynamic stability of these highly magnesiated configurations. The non-monotonic voltage profiles are closely correlated with variations in incremental adsorption energies, highlighting the composition-dependent nature of Mg adsorption energies. Overall, these findings demonstrate that the Janus ZrSSe nanosheet is a potential candidate among the three investigated nanosheets for use as a high-capacity anode material for Mg-ion batteries.</p>","PeriodicalId":18806,"journal":{"name":"Nanoscale Advances","volume":" ","pages":""},"PeriodicalIF":6.3,"publicationDate":"2026-10-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13679155/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149224463","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Firdous Ahmad Deader, Anas Alazzam, Halima Alnaqbi, Moh'd Rezeq
{"title":"Nanomaterial-enabled methods for nucleic-acid sensing: biorecognition, transduction, comparative evidence, and translational considerations.","authors":"Firdous Ahmad Deader, Anas Alazzam, Halima Alnaqbi, Moh'd Rezeq","doi":"10.1039/d6na00687f","DOIUrl":"10.1039/d6na00687f","url":null,"abstract":"<p><p>Early and accurate detection of nucleic acids, particularly DNA, is central to modern diagnostics, environmental surveillance, and biomedical research. Nanomaterial-enabled nucleic-acid biosensors exploit nanoscale physicochemical properties, including high surface-area-to-volume ratio, tunable optical responses, enhanced electron transfer, magnetic enrichment, and catalytic activity, to improve sensitivity, selectivity, response time, and device miniaturization. This review examines nanomaterial-enabled DNA and RNA sensing, distinguishing recognition, amplification, and reporting functions. The principal biorecognition elements, including enzymes, antibodies, nucleic-acid probes, aptamers, and peptides, are discussed, followed by transduction strategies such as surface-enhanced Raman spectroscopy, amperometric, potentiometric, field-effect, conductometric, and impedimetric electrochemical biosensors, and electrical immunosensors. The roles of key nanomaterials, including gold nanoparticles, iron oxide nanoparticles, quantum dots, and graphene, are reviewed as signal-amplification and transduction components. Representative studies are evaluated in terms of limit of detection, linear range, selectivity, and clinical applicability. Because assay conditions differ among studies, reported detection limits are considered together with the sample matrix, amplification method, and validation approach. Particular emphasis is placed on linking material properties, recognition chemistry, and readout mechanisms to practical diagnostic performance. Finally, current challenges, multiplexed quantification, clinical translation, and emerging nanofabrication strategies for next-generation biosensors for point-of-care use are highlighted. This article is a critical narrative review; the databases, exact search strings, eligibility criteria, screening procedure and record counts used to assemble the surveyed corpus are reported, and a study-level inventory is provided in the SI.</p>","PeriodicalId":18806,"journal":{"name":"Nanoscale Advances","volume":" ","pages":""},"PeriodicalIF":6.3,"publicationDate":"2026-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13673238/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149215764","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Razia Rehman, Hasham Shafi, Syed Naiem Raza, Reyaz Hassan Mir, Suriya Rehman, Touseef Amna, M Shamshi Hassan, Sami-Ullah Rather, Nisar Ahmad Khan, Faheem A Sheikh
{"title":"Advancements in buccal drug delivery: a mechanistic review of fast-disintegrating electrospun nanofiber mats.","authors":"Razia Rehman, Hasham Shafi, Syed Naiem Raza, Reyaz Hassan Mir, Suriya Rehman, Touseef Amna, M Shamshi Hassan, Sami-Ullah Rather, Nisar Ahmad Khan, Faheem A Sheikh","doi":"10.1039/d6na00624h","DOIUrl":"10.1039/d6na00624h","url":null,"abstract":"<p><p>Buccal drug delivery enables rapid absorption by bypassing gastrointestinal degradation and hepatic first-pass metabolism. However, conventional films, tablets, and patches suffer from slow hydration and salivary washout, which often delay drug absorption before it can permeate the mucosa. Fast-dissolving (FD) electrospun nanofiber mats overcome these limitations. These mats disintegrate in under 30 s and release ≥80-90% of the loaded drug within ∼60 s, driven by their nanoscale fibers (100-900 nm), their enormous surface area, their high porosity, and the formation of amorphous solid dispersions during rapid solvent evaporation. The article reviews material selection (hydrophilic polymers such as polyvinylpolypyrrolidone, poly(vinyl alcohol), and pullulan), electrospinning parameters, and architectural variations (blend, coaxial, and multilayer) that enable instantaneous capillary-driven wetting, volumetric hydration, and erosion-mediated burst release. Mechanistic insights are supported by Fick's first law, demonstrating that transient supersaturation and reduced diffusion path lengths generate 2- to 3-fold higher early-phase mucosal flux than in conventional systems. Comprehensive characterization approaches, representative drug examples, and practical barriers to translation have also been highlighted in this review. Fast-dissolving nanofiber mats address key limitations of buccal drug delivery, particularly the challenge of rapid onset. Remaining challenges in scalability, reproducibility, and regulatory standardization can be addressed by developing better <i>in vitro</i> and <i>in vivo</i> models and by drawing early clinical conclusions.</p>","PeriodicalId":18806,"journal":{"name":"Nanoscale Advances","volume":" ","pages":""},"PeriodicalIF":6.3,"publicationDate":"2026-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13673668/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149216531","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Xiaohan Duan, Jian Zhang, Yao Wang, Baoxi Miao, Yanxu Yu, Shuoze Guo, Yating Liu, Wei Song, Junkai Zheng, Jingxi Tie
{"title":"3D magnetic nanocomposite modified with molybdenum disulfide: preparation and application in aqueous Cr(vi) remediation.","authors":"Xiaohan Duan, Jian Zhang, Yao Wang, Baoxi Miao, Yanxu Yu, Shuoze Guo, Yating Liu, Wei Song, Junkai Zheng, Jingxi Tie","doi":"10.1039/d6na00524a","DOIUrl":"https://doi.org/10.1039/d6na00524a","url":null,"abstract":"<p><p>Hexavalent chromium (Cr(vi)) poses severe environmental risks due to its high toxicity, persistence, and bioaccumulation. Adsorption technology is recognized as one of the core strategies for Cr(vi) remediation, but the development of low-cost, high-efficiency biochar-based adsorbents remains an urgent demand. In this work, 3D Molybdenum disulfide Magnetic Biochar (3DMMB) was successfully fabricated <i>via</i> a combination of calcination pyrolysis and hydrothermal methods, using traditional Chinese medicine residues (CMR) as the biomass feedstock and iron-based sludge (IS) as an alternative to conventional iron sources. Solution pH was found to exert a significant influence on Cr(vi) removal, with an acidic environment being favorable for Cr(vi) adsorption. Kinetic and isothermal analyses revealed that the adsorption process fits well with the pseudo-second-order kinetic model and Langmuir isotherm model, confirming that the adsorption is an endothermic and spontaneous monolayer process, dominated by chemical adsorption as the rate-limiting step, with a maximum adsorption capacity of 83.33 mg g<sup>-1</sup>. The potential adsorption mechanisms mainly involve physical adsorption, electrostatic interaction, chemical reduction, and complexation. Notably, 3DMMB exhibits excellent recyclability and regeneration performance, retaining 89.55% of its initial adsorption capacity after six cycles of desorption and regeneration. This study provides a novel and cost-effective approach for the preparation of waste-derived functional adsorbents and realizes selective and efficient purification of Cr(vi)-contaminated wastewater through sulfur-based grafting modification.</p>","PeriodicalId":18806,"journal":{"name":"Nanoscale Advances","volume":" ","pages":""},"PeriodicalIF":6.3,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13664702/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149195262","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Synthesis of ultra-large Ti<sub>3</sub>C<sub>2</sub>T <sub><i>x</i></sub> MXene nanoflakes: enabling high-performance flexible transparent conductive coatings.","authors":"Jaimson T James, Andrews Nirmala Grace","doi":"10.1039/d6na00641h","DOIUrl":"https://doi.org/10.1039/d6na00641h","url":null,"abstract":"<p><p>Flexible transparent conductive electrodes (FTCEs) are critical components in next-generation wearable electronics and display technologies. However, achieving low sheet resistance without compromising optical transparency remains a significant challenge due to percolation limitations in thin conductive films. MXenes, a rapidly expanding class of two-dimensional (2D) transition metal carbides and nitrides, offer remarkable potential as transparent conducting electrodes (TCEs) owing to their exceptional electrical conductivity, mechanical flexibility, and intrinsically hydrophilic nature. In this work, a modified orbital shaker-assisted Minimally Intensive Layer Delamination (Orbital-MILD) etching method is introduced, yielding ultra-large Ti<sub>3</sub>C<sub>2</sub>T <sub><i>x</i></sub> MXene nanoflakes with an average lateral size of ∼30 µm (optical-microscopy statistics over 168 individual flakes) and individual flakes reaching up to 48 µm - among the largest reported to date for solution-processed MXenes. The gentle orbital mixing action prevents flake fragmentation during both the etching and delamination stages, preserving the large lateral dimensions of the parent MAX phase particles. These large-flake inks were formulated into aqueous colloids and deposited onto flexible polyethylene terephthalate (PET) substrates using slot-die coating - a scalable, alignment-promoting deposition technique. The resultant FTCEs demonstrated an electrical conductivity of 22 777 S cm<sup>-1</sup> with a record figure of merit (FoM<sub>e</sub>) of 39, effectively eliminating the percolation bottleneck common in sparse nanomaterial networks. This work not only addresses a key limitation in MXene-based FTCE fabrication but also opens avenues for extending the method to other MXene systems, enabling scalable production of high-performance flexible electrodes.</p>","PeriodicalId":18806,"journal":{"name":"Nanoscale Advances","volume":" ","pages":""},"PeriodicalIF":6.3,"publicationDate":"2026-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13659444/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149182984","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Yijie Xie, Yuankai Gu, Qiwen Jiang, Markus Gerhard, Jun Zhang, Jinxin Zhao, Jiulong Zhao, Jie Gao
{"title":"Biomaterial-driven remove-remodel-repair (3R) strategy for full-cycle gastric cancer management: bibliometric mapping, preclinical evidence, and a translational roadmap.","authors":"Yijie Xie, Yuankai Gu, Qiwen Jiang, Markus Gerhard, Jun Zhang, Jinxin Zhao, Jiulong Zhao, Jie Gao","doi":"10.1039/d6na00583g","DOIUrl":"https://doi.org/10.1039/d6na00583g","url":null,"abstract":"<p><p>Gastric cancer (GC) remains a leading cause of cancer mortality worldwide and is characterized by prolonged precancerous progression, dynamic tumor-immune-microbiota interactions, and treatment-associated toxicity that can compromise host defense and tissue recovery. These features create a clinical need for full-cycle management spanning prevention, early eradication, advanced therapy, and postoperative rehabilitation. Here, we propose a biomaterial-driven 3R framework for GC management across the disease continuum, comprising remove for lesion clearance, remodel for immune microenvironment regulation, and repair for tissue restoration. A bibliometric analysis of 1559 publications maps the evolution of biomaterial-enabled GC research and provides an evidence landscape for this framework. Representative nanomaterials, biomimetic hydrogels, engineered microbial carriers, and regenerative matrices are mapped to clinical needs across prevention, endoscopic and perioperative intervention, systemic therapy, and rehabilitation. The 3R occupy distinct translational tiers: remove- and remodel-oriented platforms are predominantly supported by mechanistic preclinical studies, whereas selected repair-oriented materials, including endoscopic hemostatic, sealing, and submucosal-support platforms, already have human clinical evidence. Overall, the 3R framework links therapeutic objectives, material functions, disease stages, and clinically relevant endpoints into a translational roadmap for integrated GC management.</p>","PeriodicalId":18806,"journal":{"name":"Nanoscale Advances","volume":" ","pages":""},"PeriodicalIF":6.3,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13662756/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149195242","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Harshit Singh, Anand Kumar Thotakura, A P Prakasham, Esmee de Korver, Anja R A Palmans
{"title":"Simultaneous activation and release of a microtubule inhibitor from amphiphilic polymeric nanoparticles.","authors":"Harshit Singh, Anand Kumar Thotakura, A P Prakasham, Esmee de Korver, Anja R A Palmans","doi":"10.1039/d6na00763e","DOIUrl":"10.1039/d6na00763e","url":null,"abstract":"<p><p>Light addressable drug delivery systems offer opportunities to achieve spatiotemporal control over therapeutic activity while minimising off-target effects. Here we report the design, synthesis, and evaluation of a photocaged photostatin (proPST-1), in which the phenolic group of photostatin-1 (PST-1) was masked with an <i>o</i>-nitrobenzyl (ONB) photocage. Our strategy combines reversible photoswitching of the azobenzene unit with irreversible photolysis of the ONB group, affording active PST-1. Molecular docking studies suggested reduced predicted tubulin compatibility of proPST-1 due to the bulky ONB group relative to PST-1 thus silencing the dark state activity and enabling optical ON-switching. Encapsulation of proPST-1 within polymeric nanoparticles (PNs) formed from an amphiphilic polymer resulted in water soluble nanocarriers with high encapsulation efficiencies of proPST-1 (∼95%). Upon 365 nm irradiation, photolysis released the active <i>cis</i>-PST-1, weakening hydrophobic partitioning and promoting release from the nanoparticle core. <i>In vitro</i> tubulin polymerisation assays confirmed pronounced light-dependent inhibition, while cytotoxicity assays in cells validated concentration-dependent activity only after irradiation. This proof-of-concept study establishes a blueprint for integrating photocaging and photoswitching within nanocarriers to achieve dual activation and triggered release.</p>","PeriodicalId":18806,"journal":{"name":"Nanoscale Advances","volume":" ","pages":""},"PeriodicalIF":6.3,"publicationDate":"2026-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13673699/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149216142","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Isaías Rodríguez, Renela M Valladares, Alexander Valladares, David Hinojosa-Romero, Flor B Quiroga, Ariel A Valladares
{"title":"Edge-dependent superconductivity in twisted bismuth bilayers.","authors":"Isaías Rodríguez, Renela M Valladares, Alexander Valladares, David Hinojosa-Romero, Flor B Quiroga, Ariel A Valladares","doi":"10.1039/d6na00532b","DOIUrl":"https://doi.org/10.1039/d6na00532b","url":null,"abstract":"<p><p>Twisted bilayers offer a platform for engineering new twistronic materials. Whereas standard studies focus on the enigma of twist-angles, epitomized by twisted graphene bilayers, functional devices face a fundamental concern: boundary heterogeneity. In this study, we address this by investigating the electronic and vibrational properties of twisted bismuth bilayer flakes. Twisted flakes exhibit interesting variations of these properties, away from the bulk, as we report herein using <i>ab initio</i> density functional theory, systematically mapping the evolution of the electronic density of states, the vibrational densities and possible superconductivity. Our work reveals a non-fortuitous consequence of structural disorder at the edges: an enhanced electronic density of states at the Fermi level. This enhancement reaches a maximum of 10 times that of crystalline bismuth. Given that the superconducting critical temperature is exponentially dependent on the electronic density of states, this structural variation suggests a mechanism for increasing <i>T</i> <sub>c</sub>. We identify the edge disorder as a parameter in designing devices with enhanced properties. Our results provide a theoretical framework for interpreting new twistronic data, paving the way to search for disordered metastable structures that could lead to enhanced superconducting transition temperatures.</p>","PeriodicalId":18806,"journal":{"name":"Nanoscale Advances","volume":" ","pages":""},"PeriodicalIF":6.3,"publicationDate":"2026-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13659820/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149182767","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Hierarchical 2D Mn-Co-Te nanocomposites for visible light photodetector and nonlinear applications: insights from experiment and DFT.","authors":"Swikruti Supriya, Sasmita Swain, Rojalin Swain, Jagadish Kumar, D Alagarasan, Ramakanta Naik","doi":"10.1039/d6na00685j","DOIUrl":"10.1039/d6na00685j","url":null,"abstract":"<p><p>MnTe and CoTe have attracted significant attention in the field of optoelectronics due to their promising electronic and optical properties. In the present work, ternary Mn-Co-Te nanocomposites with varying Mn and Co concentrations were successfully synthesized <i>via</i> a hydrothermal approach to investigate the compositional influence on their structural, optical, photoresponsive, and nonlinear optical properties. From X-ray diffraction (XRD) analysis, the crystallite size was found to decrease from 30.244 to 17.370 nm with decreasing Mn concentration, while Raman spectroscopy revealed the characteristic vibrational mode associated with Te-Te bonding. Field emission scanning electron microscopy (FESEM) demonstrated the formation of hierarchical nanosheet-like structures embedded with nanoparticles, whereas X-ray photoelectron spectroscopy (XPS) studies confirmed the surface chemical states and elemental composition of the synthesized composites. Optical investigations revealed a gradual increase in the direct bandgap energy from 2.74 to 3.34 eV with increasing Co concentration. Photoresponse measurements showed significant photocurrent enhancement under illumination, with the Mn-rich sample (MCT-1) exhibiting the highest photocurrent value of 104.06 mA. Furthermore, nonlinear optical studies carried out using the Z-scan technique demonstrated prominent reverse saturable absorption (RSA) behavior along with positive nonlinear refractive index values. The calculated third-order nonlinear susceptibility was found to be of the order of 10<sup>-10</sup> esu, confirming strong nonlinear optical activity. These results suggest that Mn-Co-Te nanocomposites are promising materials for optoelectronic and nonlinear photonic applications.</p>","PeriodicalId":18806,"journal":{"name":"Nanoscale Advances","volume":" ","pages":""},"PeriodicalIF":6.3,"publicationDate":"2026-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13648251/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149136769","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Onur Çakıroğlu, Felix Carrascoso, Riccardo Frisenda, Andres Castellanos-Gomez
{"title":"Strain dependent complex refractive index of 1L, 2L and 3L transition metal dichalcogenides.","authors":"Onur Çakıroğlu, Felix Carrascoso, Riccardo Frisenda, Andres Castellanos-Gomez","doi":"10.1039/d6na00401f","DOIUrl":"https://doi.org/10.1039/d6na00401f","url":null,"abstract":"<p><p>Strain engineering offers a powerful route to modulate the optical properties of semiconducting transition metal dichalcogenides (TMDCs) by tuning their bandgap, altering exciton dynamics and breaking symmetry. Yet, the strain dependence of their complex refractive index remains largely unexplored. Here, we extract the strain-dependent complex refractive index (<i>ñ</i> = <i>n</i> + <i>iκ</i>) of monolayer, bilayer, and trilayer MoS<sub>2</sub>, MoSe<sub>2</sub>, WS<sub>2</sub>, and WSe<sub>2</sub> by analyzing contrast spectra acquired from micro-reflectance measurements. A Fresnel-based multilayer model incorporating Lorentz oscillators is used to describe the dielectric response, which is directly related to the complex refractive index. Furthermore, a two-phase fitting strategy is employed to determine the high-energy dielectric background and oscillator parameters, which are required as input for the model. We observe systematic redshifts in excitonic resonances under uniaxial tensile strain. The methodology is also extended to differential reflectance data, highlighting its broader applicability. Our results provide both a dataset and a modeling framework for accurately describing the strain-tunable optical response of layered TMDCs.</p>","PeriodicalId":18806,"journal":{"name":"Nanoscale Advances","volume":" ","pages":""},"PeriodicalIF":6.3,"publicationDate":"2026-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13660777/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149182959","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}