Amit Das , Sonam Rewari , Binod Kumar Kanaujia , S.S. Deswal , R.S. Gupta
{"title":"Analytical characterization of a label free Si/InAs hetero-interfaced cylindrical BioFETD for biosensing applications","authors":"Amit Das , Sonam Rewari , Binod Kumar Kanaujia , S.S. Deswal , R.S. Gupta","doi":"10.1016/j.micrna.2025.208152","DOIUrl":"10.1016/j.micrna.2025.208152","url":null,"abstract":"<div><div>This paper investigates the applicability of an Indium Arsenide (InAs) channel-based cylindrical BioFETD for label-free biosensing applications. The adoption of InAs as an alternative channel material in the BioFETD has revealed a 153.38 % and 179.23 % enhancement in sensitivity for Streptavidin and Gelatin detection compared to its conventional counterpart. The investigation into its sensitivity is bolstered by the consideration of multiple metrics, thereby enhancing the reliability of the conclusions drawn. Temperature variations and practical constraints on sensitivity metrics have been taken into account, providing a comprehensive perspective. To establish a benchmark for comparison, the proposed biosensor undergoes evaluation against existing literature, particularly focusing on their sensitivity to confirm their effectiveness. Furthermore, the proposed BioFETD demonstrates notable improvements, with a 139.942 mV (∼122 %) increase in threshold voltage sensitivity over its junctionless variant for Gelatin. Biomolecules localized inside the oxide layer within the embedded cavity affects various electrostatic properties across the device channel, including drain current, surface potential, electric field and threshold voltage. A compact analytical model, based on fundamental physics, has been proposed and shows excellent agreement with the obtained simulated results. The 2D Poisson equation accurately models these properties, with changes in drain current and threshold voltage serving as prime indicators in biomolecule detection. The obtained results make the Si/InAs interfaced BioFETD a perfect candidate for ultra-sensitive detectors.</div></div>","PeriodicalId":100923,"journal":{"name":"Micro and Nanostructures","volume":"204 ","pages":"Article 208152"},"PeriodicalIF":2.7,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143705349","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Mohamed Eddekkar , Hassan El-Ouaddi , Mohammed Khenfouch , Abdelaziz Labrag , Mustapha Bghour , Merieme Benaadad , Ahmed Tirbiyine
{"title":"Cs2SnSiF6: A novel lead-free double perovskite for high-efficiency optoelectronics","authors":"Mohamed Eddekkar , Hassan El-Ouaddi , Mohammed Khenfouch , Abdelaziz Labrag , Mustapha Bghour , Merieme Benaadad , Ahmed Tirbiyine","doi":"10.1016/j.micrna.2025.208151","DOIUrl":"10.1016/j.micrna.2025.208151","url":null,"abstract":"<div><div>This study employs Density Functional Theory (DFT) calculations to investigate the structural, mechanical, electronic, optical, and dynamic properties of Cs<sub>2</sub>SnSiF<sub>6</sub>, a novel lead-free double perovskite predicted for the first time through computational modeling. Cs<sub>2</sub>SnSiF<sub>6</sub> crystallizes in a cubic structure (Fm-3m) and exhibits a direct bandgap of 1.374 eV (HSE06) at the Gamma point, optimal for single-junction solar cells as dictated by the Shockley-Queisser limit. Spectroscopic limited maximum efficiency (SLME) calculations reveal a theoretical power conversion efficiency of ∼31 % under AM1.5G illumination at 300 K temperature, matching the performance of lead-based analogs like MAPbI<sub>3</sub> and surpassing conventional lead-free perovskites (e.g., Cs<sub>2</sub>AgBiX<sub>6</sub>, SLME <20 %). The material also displays broad visible-light absorption (α > 10<sup>5</sup> cm<sup>−1</sup>) and low reflectivity (<5 % at 200 nm), further underscoring its solar cell potential.</div><div>Mechanically, Cs<sub>2</sub>SnSiF<sub>6</sub> demonstrates exceptional robustness, with a high bulk modulus (66.64 GPa), low anisotropy (0.327), and ductile Pugh ratio (2.95), ensuring durability under operational stresses. Its thermodynamic stability is confirmed by a negative formation energy (−3.048 eV/atom), high Debye temperature (265 K), and melting point (768 K). Phonon dispersion calculations validate dynamic stability, with no imaginary frequencies detected. These findings position Cs<sub>2</sub>SnSiF<sub>6</sub> as a groundbreaking candidate for high-efficiency optoelectronics, including solar cells, LEDs, and photodetectors, while offering a sustainable alternative to toxic lead-based perovskites.</div></div>","PeriodicalId":100923,"journal":{"name":"Micro and Nanostructures","volume":"203 ","pages":"Article 208151"},"PeriodicalIF":2.7,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143685016","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Md. Roman Mia , Md. Amanullah , Md. Mahfuzul Haque , Sheikh Hasib Cheragee
{"title":"Design insights into eco-friendly K2TiI6/MASnI3 perovskite-based tandem solar cell","authors":"Md. Roman Mia , Md. Amanullah , Md. Mahfuzul Haque , Sheikh Hasib Cheragee","doi":"10.1016/j.micrna.2025.208150","DOIUrl":"10.1016/j.micrna.2025.208150","url":null,"abstract":"<div><div>Perovskite materials have gained significant attention due to their exceptional optical and electronic properties, which have transformed solar cell technology. In addition, their high light absorption capacity, long carrier mobility, tunable bandgap, and affordable cost of production make perovskites desirable as ideal materials for solar cell technology. In this article, a double-absorber-based solar cell is designed and optimized using SCAPS-1D solar simulation software. The study used K<sub>2</sub>TiI<sub>6</sub> and MASnI<sub>3</sub> organic-inorganic perovskite as the top and bottom adsorber layers, respectively. The primary objective of this research is to evaluate the compatible components for the electron-transporting layers (ETL) and hole-transporting layers (HTL). Also, this research aims to determine optimal values for active layer thickness, temperature, absorbing defect density, and metal work functions to enhance photovoltaic cell performance. Upon optimizing the proposed solar cell architecture by changing various elements in the ETL and HTL, the optimal configuration has achieved the FTO/TiO<sub>2</sub>/K<sub>2</sub>TiI<sub>6</sub>/MASnI<sub>3</sub>/Cu<sub>2</sub>O/W structure, which demonstrates an open circuit voltage of V<sub>oc</sub> = 1.138 V, a fill factor (FF) of 82.38 %, a short-circuit current of J<sub>sc</sub> = 34.834 mA/cm<sup>2</sup>, and a maximum power conversion efficiency (PCE) of 32.67 %. Progress is achieved by utilizing TiO<sub>2</sub> as the ETL and Cu<sub>2</sub>O as the HTL in the configuration when the thickness of the MASnI<sub>3</sub> absorber was set at 1 μm, the K<sub>2</sub>TiI<sub>6</sub> absorber was at 0.15 μm, and back contact metal W (5.22eV). The light and flexible structure of K<sub>2</sub>TiI<sub>6</sub> and MASnI<sub>3</sub> perovskite makes it promising for next-generation photovoltaic technology. This model of current silicon and lead-based photovoltaic technologies can be an alternative, making solar energy use more accessible and efficient.</div></div>","PeriodicalId":100923,"journal":{"name":"Micro and Nanostructures","volume":"204 ","pages":"Article 208150"},"PeriodicalIF":2.7,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143682580","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Rohan Rohidas Naik , Lokesh Kumar Bramhane , T. Veerakumar , Amol D. Rahulkar , Jawar Singh
{"title":"Extruded source gate TFET for completely suppressed ambipolar current","authors":"Rohan Rohidas Naik , Lokesh Kumar Bramhane , T. Veerakumar , Amol D. Rahulkar , Jawar Singh","doi":"10.1016/j.micrna.2025.208142","DOIUrl":"10.1016/j.micrna.2025.208142","url":null,"abstract":"<div><div>This paper introduces two advanced TFET structures designed to suppress ambipolar current effectively: the extruded source gate doping-less TFET (ESG-DL-TFET) and the extruded source gate metal-layer doping-less TFET (ESG-ML-DL-TFET). By incorporating an extruded gate–source region and an abrupt gate–drain junction, both devices restrict the gate’s influence to the source-channel band-to-band tunneling (BTBT) process, thereby minimizing tunneling at the channel-drain interface. This approach enables high <span><math><mrow><msub><mrow><mi>I</mi></mrow><mrow><mi>O</mi><mi>N</mi></mrow></msub><mo>/</mo><msub><mrow><mi>I</mi></mrow><mrow><mi>O</mi><mi>F</mi><mi>F</mi></mrow></msub></mrow></math></span> ratios and steep subthreshold swing (SS), essential for energy-efficient operation, without sacrificing drive current or overall performance. Notably, the ESG-DL-TFET significantly reduces ambipolar current relative to the conventional DL-TFET, while the ESG-ML-DL-TFET achieves complete suppression compared to the standard ML-DL-TFET. Extensive 2D simulations using Atlas Silvaco were conducted, analyzing device behavior across different extruded gate–source lengths and determining the optimal extruded height for total ambipolar current suppression. Additionally, minor reductions in drain current, <span><math><msub><mrow><mi>I</mi></mrow><mrow><mi>O</mi><mi>N</mi></mrow></msub></math></span>, and SS observed in the proposed structures can be mitigated by tuning the metal layer’s work function and gate electrode work function. The effect of temperature variation on the transfer characteristics of proposed devices was also simulated. These findings underscore the potential of ESG-DL-TFET and ESG-ML-DL-TFET architectures to enhance BTBT efficiency while minimizing ambipolarity, offering promising solutions for low-power electronic applications.</div></div>","PeriodicalId":100923,"journal":{"name":"Micro and Nanostructures","volume":"204 ","pages":"Article 208142"},"PeriodicalIF":2.7,"publicationDate":"2025-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143682579","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jin Chan Wang , Lan Hui Huang , Hai Jun Hou , Miao Cao , Yan Xi , Miao Miao Li , Ya Ru Zhao
{"title":"Structural evolution, electronic and spectral properties of bimetallic Rb2Mgn clusters based on DFT","authors":"Jin Chan Wang , Lan Hui Huang , Hai Jun Hou , Miao Cao , Yan Xi , Miao Miao Li , Ya Ru Zhao","doi":"10.1016/j.micrna.2025.208149","DOIUrl":"10.1016/j.micrna.2025.208149","url":null,"abstract":"<div><div>Bimetallic clusters have garnered heightened attention due to their capacity to adjust their intrinsic properties by modifying size, structure, and doping. In this study, we perform a structural search to identify the global minimum of the Rb<sub>2</sub>Mg<sub><em>n</em></sub> (<em>n</em> = 1–12) clusters using the CALYPSO code for structural predicting, followed by DFT optimization. The geometric, electronic and spectral behaviors that vary with size are discussed in depth. Our findings indicate a transition in structure from planar to 3D frameworks at <em>n</em> = 3, then to hollow cage-like structure at <em>n</em> = 8 for Rb<sub>2</sub>Mg<sub><em>n</em></sub> clusters, which happens slightly later than pure magnesium clusters. The convex site is where the Rb atom likes to localize in their structures. Charge transfer studies reveal the electron-loss behavior of Rb along with the presence of <em>sp</em> hybridization in the clusters. Analysis of stability suggests that the Rb<sub>2</sub>Mg<sub>3</sub> and Rb<sub>2</sub>Mg<sub>9</sub> clusters exhibit greater stability, which is attributed to their closed-shell electronic configurations such as 1S<sup>2</sup>1P<sup>6</sup> and 1S<sup>2</sup>1P<sup>6</sup>1D<sup>10</sup>2S<sup>2</sup>. A study of the bonding characteristic not only reveals the delocalization of the bond, but also indicates the stronger Rb–Mg bond than the Mg–Mg bond in Rb<sub>2</sub>Mg<sub>3</sub> and Rb<sub>2</sub>Mg<sub>9</sub>. The spectral characteristics, as determined from IR and Raman spectroscopy, have also been examined.</div></div>","PeriodicalId":100923,"journal":{"name":"Micro and Nanostructures","volume":"203 ","pages":"Article 208149"},"PeriodicalIF":2.7,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143654878","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Theoretical study on the optical properties of a Pd–TiO2 core-shell nanoparticle as a highly active heterogeneous structure for photocatalytic applications","authors":"Mohammed Alsawafta, Chawki Awada","doi":"10.1016/j.micrna.2025.208148","DOIUrl":"10.1016/j.micrna.2025.208148","url":null,"abstract":"<div><div>The influence of TiO<sub>2</sub> shell on both the optical response and associated nearfield intensity of a spherical Pd core has been investigated theoretically by employing the Finite-Difference Time-Domain (FDTD) simulation tool. By devoting the concept of the effective dielectric medium, a theoretical analysis is introduced to provide a better understanding of how combined materials (shell material and host medium) can impact the spectral response of the core-shell nanoparticles and the correlated sensing capability. From the results of the numerical simulations, it is found that the sensing competence of the considered core-shell system is decreased significantly with increasing the shell thickness (t). This implies that a thicker shell acts as a shield, allowing the complex dielectric function of the TiO<sub>2</sub> to dominate the resonance condition and progressively reducing the influence of the surrounding host matrix on the resonance phenomenon. Additionally, independent of the material types, the current study provides a scaling model to properly connect the impact of both the shell thickness and the core size (r) to the related sensing performance, such that t/r should be smaller than a factor of two for the successful usage of such nanoparticles for sensing applications. The current findings provide some detailed guidelines to properly and accurately design plasmon-based sensing platforms constructed from heterogeneous core-shell nanostructures.</div></div>","PeriodicalId":100923,"journal":{"name":"Micro and Nanostructures","volume":"203 ","pages":"Article 208148"},"PeriodicalIF":2.7,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143637381","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"TCAD-based evaluations of a high-performance, low-power dielectric modulated BioTFET with dopingless tunneling junctions","authors":"Iman Chahardah Cherik , Saeed Mohammadi , Mohamad Reza Bayatiani , Fatemeh Seif","doi":"10.1016/j.micrna.2025.208146","DOIUrl":"10.1016/j.micrna.2025.208146","url":null,"abstract":"<div><div>This article introduces a biosensor that utilizes a dopingless Ge/Si heterostructure for more efficient detecting the intended biomolecules. In order to convert the intrinsic germanium-based semiconductor within our bioTFET (biological tunneling field-effect transistor) into a P<sup>+</sup> region, we have surrounded the source with two heavily-doped silicon layers. This addresses challenges such as silicide formation and parasitic metal-to-source tunneling, which are commonly found in charge plasma-based devices. In the drain region, we have incorporated N<sup>+</sup> doping instead of using inductive metal, resulting in improved AC performance. To verify our findings, we have used a calibrated device simulator and proposed a detailed fabrication process for our bioTFET. In order to assess the functionality of our biosensor, we have executed a series of simulations to quantify its performance metrics, including the sensitivity of drain current and subthreshold swing. Due to our device's optimal design, we achieved ideal parameters such as <span><math><mrow><msub><mi>S</mi><msub><mi>I</mi><mi>D</mi></msub></msub></mrow></math></span> = 6.15 × 10<sup>6</sup>,and <span><math><mrow><msub><mi>S</mi><msub><mrow><mi>S</mi><mi>S</mi></mrow><mrow><mi>a</mi><mi>v</mi><mi>g</mi></mrow></msub></msub></mrow></math></span> = 0.92 at <em>V</em><sub>GS</sub> = 0.7 V.</div></div>","PeriodicalId":100923,"journal":{"name":"Micro and Nanostructures","volume":"203 ","pages":"Article 208146"},"PeriodicalIF":2.7,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143654877","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Muhammad Saddique Akbar Khan , Guo Yu , Pervaiz Ahmad , Weihua Chen , Menglai Lei , Huanqing Chen , Xiaodong Hu
{"title":"Controlling dislocation clusters in selective area growth of gallium nitride with hexagonal configurations of serpentine channel mask","authors":"Muhammad Saddique Akbar Khan , Guo Yu , Pervaiz Ahmad , Weihua Chen , Menglai Lei , Huanqing Chen , Xiaodong Hu","doi":"10.1016/j.micrna.2025.208144","DOIUrl":"10.1016/j.micrna.2025.208144","url":null,"abstract":"<div><div>The periodic distribution of threading dislocations (TDs) originating from the windows and coalescence areas during epitaxial lateral overgrowth (ELOG) of GaN hindered the further development of large wafer-scale crystal growth. Although, the serpentine channel patterned sapphire substrate (SCPSS) effectively controlled TDs from the window areas, however, the periodic distribution of TDs from coalescence areas was still problematic. To control the periodicity of TDs from coalescence areas, selective area growth (SAG) was introduced in the form of a triangular pattern. However, these selective patterns were relaxed and clusters of TDs were gliding. Despite adding InGaN-Interlayer, the complete elimination of TD clusters was still a great challengeTherefore, the hexagonal configuration of the SCPSS was proposed. Characterization results proved that the hexagonal configuration of SAG assisted by facet structures effectively controls TDs clusters in the SAG. In addition, defects from the meeting fronts were also effectively controlled through the convergence of the growth fronts merging from hexagonal sides at central single-dimensionless points. Optimizing high-quality growth by the hexagonal configuration of SCPSS is promising for GaN-based devices such as laser diodes (LDs) and light-emitting diodes (LEDs).</div></div>","PeriodicalId":100923,"journal":{"name":"Micro and Nanostructures","volume":"203 ","pages":"Article 208144"},"PeriodicalIF":2.7,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143637481","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Numerical investigation of eco-friendly FASnI3 perovskite solar cells: Effects of energy band alignment and interface defect","authors":"Chenglei Yin , Ting Gou , Junyi Li, Shuzhen Li, Minglin Zhao","doi":"10.1016/j.micrna.2025.208147","DOIUrl":"10.1016/j.micrna.2025.208147","url":null,"abstract":"<div><div>HC(NH<sub>2</sub>)<sub>2</sub>SnI<sub>3</sub> (FASnI<sub>3</sub>) is considered as a promising lead-free perovskite (PVK) for its wide bandgap and great temperature stability. However, Sn-based perovskites exhibit lower electron affinities than Pb-based perovskites, resulting in large band mismatch at the interfaces. The energy band alignment and defects at the interfaces play an important role in the perovskite solar cell (PSC) performance. In this simulation, we optimize the FTO/TiO<sub>2</sub>/FASnI<sub>3</sub>/PTAA/Au structure to achieve efficiently and eco-friendly FASnI<sub>3</sub>-based PSCs using SCAPS-1D, with a special focus on interface engineering. The band offsets of TiO<sub>2</sub>/FASnI<sub>3</sub> and FASnI<sub>3</sub>/PTAA interfaces are systematically modified by changing the electron affinity values of the absorber and charge transport layers (CTLs). Additionally, the influence of defect density at the TiO<sub>2</sub>/FASnI<sub>3</sub> and FASnI<sub>3</sub>/PTAA interface is also discussed. It is found that the efficiency of PSCs can be significantly improved by suitable energy band alignment accompanied by small spike-like band offsets and the reduction of interface defects. The initial structure is based on an experimental work with an efficiency of 2.53 %. After optimization, the device reaches the highest theoretical power conversion efficiency (<em>PCE</em>) of 17.92 % with fill factor (<em>FF</em>) of 77.79 %, open circuit voltage (<em>V</em><sub><em>oc</em></sub>) of 0.93 V and short circuit current density (<em>J</em><sub><em>sc</em></sub>) of 24.81 mA/cm<sup>2</sup>.</div></div>","PeriodicalId":100923,"journal":{"name":"Micro and Nanostructures","volume":"203 ","pages":"Article 208147"},"PeriodicalIF":2.7,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143654879","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Lunhui Zhang, Qian Chen, Tinghong Gao, Mei Xu, Quan Xie
{"title":"Investigation of graphene coating effects on the tribological properties of polycrystalline gallium arsenide during nanoscratching","authors":"Lunhui Zhang, Qian Chen, Tinghong Gao, Mei Xu, Quan Xie","doi":"10.1016/j.micrna.2025.208132","DOIUrl":"10.1016/j.micrna.2025.208132","url":null,"abstract":"<div><div>Polycrystalline gallium arsenide (poly-GaAs) is a crucial material for optoelectronic and high-speed electronic devices. Its importance in semiconductor applications, including those in solar cells, lasers, and microwave-integrated circuits, is increasing. A comprehensive understanding of material removal mechanisms during scratching is crucial for optimizing the design and performance of poly-GaAs-based nanodevices. In this study, we used molecular dynamics simulations to construct a model of a poly-GaAs substrate coated with a graphene layer. Subsequently, diamond-tip scratching experiments were performed on the model at a constant speed. Experimental results demonstrate that the graphene layer considerably improves the wear resistance and hardness of the substrate, effectively reducing surface wear, potential energy accumulation, and subsurface damage. However, as the scratching depth increases, the scratching force, subsurface damage depth, friction coefficient, and surface wear of the substrate also increase. Additionally, the incorporation of a graphene layer effectively improves the load-bearing capacity of the substrate during fully elastic deformation, demonstrating excellent superlubrication performance across a broad range of operating conditions. These findings offer valuable insights into the design of poly-GaAs-based nanodevices and highlight the potential of graphene for protection and lubrication applications.</div></div>","PeriodicalId":100923,"journal":{"name":"Micro and Nanostructures","volume":"204 ","pages":"Article 208132"},"PeriodicalIF":2.7,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143714498","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}