Applied Physics A最新文献

{"title":"Molecular dynamics simulation of ultrasonic vibration-assisted nanocutting of monocrystalline silicon","authors":"Tianwen Zhou,&nbsp;Feng Li,&nbsp;Jiahao Ye,&nbsp;Fei Zhou","doi":"10.1007/s00339-026-10304-y","DOIUrl":"10.1007/s00339-026-10304-y","url":null,"abstract":"<div><p>As the core substrate material for the semiconductor industry, monocrystalline silicon has long posed a major challenge for precision manufacturing in terms of high-precision and low-damage machining. Ultrasonic vibration-assisted machining technology has been proven to effectively improve the machining quality of hard and brittle materials, yet its atomic-scale mechanism remains incompletely understood. In this paper, molecular dynamics simulation is adopted to construct a three-dimensional model for ultrasonic vibration-assisted nanocutting of monocrystalline silicon with diamond tools. The effects of vibration frequency and amplitude on material removal behavior, cutting force, cutting temperature, atomic phase transformation and subsurface damage are systematically investigated. In terms of material removal, the number of chip atoms exhibits a non-monotonic variation that first decreases and then increases with the rise of frequency and amplitude. In terms of cutting force, the average tangential force continuously decreases while the normal impact load increases monotonically with the increase of vibration frequency and amplitude. In terms of cutting temperature, the average temperature in the cutting zone rises monotonically with increasing frequency and amplitude, and the amplitude exerts a more pronounced enhancement effect on temperature rise. In terms of atomic phase transformation, high frequency and large amplitude intensify the high-pressure phase transformation of monocrystalline silicon from the diamond cubic phase to bct-5, β-Sn and amorphous phases. In terms of subsurface damage, the thickness of the damage layer increases significantly with rising amplitude, while it is less sensitive to frequency modulation. Vibration amplitude serves as the dominant parameter determining the depth of subsurface damage, and the amplitude along the Z direction should not be excessively large. This study reveals the machining mechanism of ultrasonic vibration-assisted nanocutting of monocrystalline silicon at the atomic scale, providing microscale theoretical support for low-damage machining processes.</p></div>","PeriodicalId":473,"journal":{"name":"Applied Physics A","volume":"132 11","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149098216","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"V2O5/PEDOT composite cathode for aqueous zinc-ion batteries: electrochemical performance and quantum chemical insights into structure and electronic properties","authors":"Andrey Yu. Popov,&nbsp;Ilya E. Epifanov,&nbsp;Svyatoslav S. Lunkov,&nbsp;Fedor S. Davydov,&nbsp;Kameliia I. Rashitova,&nbsp;Filipp S. Volkov,&nbsp;Vitaly V. Porsev,&nbsp;Svetlana N. Eliseeva,&nbsp;Robert A. Evarestov,&nbsp;Yuping Wu","doi":"10.1007/s00339-026-10286-x","DOIUrl":"10.1007/s00339-026-10286-x","url":null,"abstract":"<div><p>Aqueous zinc-ion batteries (AZIBs) have emerged as a safe and sustainable alternative to lithium-ion systems. Vanadium oxides are considered among the most promising cathode materials due to their high theoretical capacity and low cost. However, the low conductivity and structural degradation of pristine V₂O₅ hinder its practical application. In this work, a V₂O₅/PEDOT composite was synthesized via a simple solution polymerization method and investigated using ZnSO₄ and Zn(CF₃SO₃)₂ electrolytes. The material exhibited high reversible capacities up to 451 mAh·g^− 1 at 0.5 A·g^− 1 in ZnSO₄ and demonstrated comparable performance in both electrolytes at moderate current densities (≤ 2 A·g^− 1). At higher currents, Zn(CF₃SO₃)₂ outperformed ZnSO₄, giving 284 mAh·g^− 1 at 10 A·g^− 1 versus only 76 mAh·g^− 1. ZnSO₄ electrolyte remains attractive for cost-sensitive applications, while Zn(CF₃SO₃)₂ offers significant advantages for high-power zinc-ion batteries. Quantum chemical calculations show that in V₂O₅/PEDOT composites, the degree of polymerization determines the PEDOT-induced modification of the electronic structure. PEDOT preserves the layered V₂O₅ framework but introduces occupied band-gap states, thereby enhancing the composite’s electronic conductivity.</p></div>","PeriodicalId":473,"journal":{"name":"Applied Physics A","volume":"132 11","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149098185","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Nanosecond laser fabricated multi-scale microtextures for enhancing EBCs adhesion on SiC substrates","authors":"Zhaoyang Zhai,&nbsp;Qiankun Ding,&nbsp;Haoxuan He,&nbsp;Yanchao Zhang,&nbsp;Dongya Zhang,&nbsp;Chunhua Du","doi":"10.1007/s00339-026-10303-z","DOIUrl":"10.1007/s00339-026-10303-z","url":null,"abstract":"<div><p>Spalling failure at the substrate-environmental barrier coatings (EBCs) interface severely limits the service performance of SiC-based components for service in high-temperature water-vapor environments. In this study, nanosecond laser machining was employed to fabricate multi-scale microtextures on the surface of SiC substrates. The influences of texture fraction, texture depth and inner diameter on coating bonding strength were systematically investigated. The underlying interfacial strengthening and failure mechanisms were further clarified based on morphological observations and elemental characterization. The results demonstrate that multi-scale microtextures substantially enlarge the actual interfacial contact area and achieve synergistic strengthening from the combination of mechanical interlocking and interfacial chemical bonding. A relatively high bonding strength is obtained at a texture fraction of 50% with a moderate inner diameter, where full coating-filling and uniform interfacial stress distribution can be achieved simultaneously. Insufficient mechanical interlocking occurs in overly shallow textures, whereas excessively deep textures readily form closed internal pores. Too-small inner diameters hinder coating infiltration; in contrast, overly large inner diameters reduce the effective anchoring depth and aggravate stress concentration. By tuning the interface morphology, laser-fabricated multi-scale microtextures effectively inhibit coating spalling.</p></div>","PeriodicalId":473,"journal":{"name":"Applied Physics A","volume":"132 11","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149098433","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Understanding the impact of various silane-based functionalized nanostructured silica thin films on the wettability and optical properties","authors":"K. Pradhan,&nbsp;S. P. Ghosh,&nbsp;T. Badapanda,&nbsp;D. M. Pani,&nbsp;J. Ray","doi":"10.1007/s00339-026-10291-0","DOIUrl":"10.1007/s00339-026-10291-0","url":null,"abstract":"<div><p>This research develops a simple and systematic approach to improve the wettability of Stöber-synthesized silica thin films by enhancing their surface properties using eco-friendly, non-fluorinated functionalization agents. To better understand the role of different functionalizing agents, several non-fluorinated organosilanes with varying chain lengths were chosen as eco-friendly alternatives to harmful fluorinated chemicals. X-ray diffraction results showed that the films maintained their amorphous silica nature after modification. In addition to a noticeable increase in surface roughness, this was observed from 76 nm in pristine films to 88–110 nm following functionalization. FESEM and AFM analyses showed uniformly dispersed spherical particles (409–437 nm). FTIR and EDX studies confirmed the successful attachment of organosilane molecules through the reduction of silanol groups and the appearance of characteristic organic signatures. A remarkable improvement in water repellence was achieved, with an impressive water contact angle of nearly 140°, indicating strong hydrophobicity. Optical analysis showed only a slight reduction in transmittance after modification. Unlike previous studies focusing primarily on smooth silica, this work investigates how organosilane chemistry interacts with a nanoparticulate silica surface to establish structure–property relationships relevant to self-cleaning surfaces and next-generation functional coating technologies.</p></div>","PeriodicalId":473,"journal":{"name":"Applied Physics A","volume":"132 11","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149098183","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Influence of SrO on the mechanical, optical, and gamma-ray shielding performance of a boro-tellurite glass series","authors":"M. I. Sayyed,&nbsp;Saman Q. Mawlud,&nbsp;K. A. Mahmoud,&nbsp;Ahmed A. Ahmed,&nbsp;Ibrahim Maijawa","doi":"10.1007/s00339-026-10301-1","DOIUrl":"10.1007/s00339-026-10301-1","url":null,"abstract":"<div><p>The present work aims to synthesize a boro-tellurite glass series for radiation shielding applications, where the boro-tellurite glass series is composed of 18 TeO₂–(81-y) B₂O₃–y SrO–1 Er₂O₃, y = 13, 16, 19, and 22 mol%. XRD analysis confirmed the amorphous nature of all prepared glasses, with no detectable crystalline phases. FTIR analysis confirmed the coexistence of BO₃/BO₄ and TeO₃/TeO₄ structural units, while deconvolution revealed a non-monotonic variation in the BO₄ fraction with increasing SrO content. The mechanical properties of the fabricated boro-tellurite glasses were calculated utilizing the Makishima-Makinzie theory. The obtained data shows a reduction in the mechanical moduli and hardness of the fabricated glasses with the rise in the insertions of SrO modifiers. The hardness of the fabricated glasses reduced by ≈ 4.5% when the SrO content rose from 13 to 22 mol%. Furthermore, the UV-Vis absorption spectra were measured for the fabricated boro-tellurite glasses to check the influence of SrO modifiers in their optical properties. The insertion of SrO modifiers slightly decreases the refractive index from 2.257 to 2.250 for the direct transition. The evaluation of the shielding properties using the Monte Carlo simulation depicts that the insertion of the SrO modifiers to the fabricated boro-tellurite glasses enhances their linearity by 30.4%, 7.2%, and 11.4% at 0.03 MeV, 0.5 MeV, and 15 MeV, respectively.</p></div>","PeriodicalId":473,"journal":{"name":"Applied Physics A","volume":"132 11","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149098113","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Compressive to tensile magnetostriction switching in polycrystalline ZnFe2O4 film","authors":"Suman Guchhait,&nbsp;Diwakar Singh Bais,&nbsp;Amal Kumar Das","doi":"10.1007/s00339-026-10305-x","DOIUrl":"10.1007/s00339-026-10305-x","url":null,"abstract":"<div><p>The angle-dependent in-plane magnetostriction of a polycrystalline ZnFe₂O₄ (ZFO) film at ambient temperature (300 K) has been investigated using the optical cantilever beam magnetometer (CBM) system. We have observed a switching from compressive (-) to tensile (+) magnetostriction (λ) as the angle (θ) of the applied magnetic field (H) is varied in the plane of the ZFO film. The film shows compressive magnetostriction at a small angle of applied field. With the increase of angle, the compressive nature improves and attains a maximum value at θ = 40 ^ͦ. The rotation of the field above this angle causes the compressive nature to decline continuously, and eventually it switches to a tensile nature at θ = 55 ^ͦ. If we rotate the magnetic field further, the tensile nature keeps growing with the angle of rotation, and it reaches the highest value at θ = 90 ^ͦ. The polycrystalline ZFO film finds a way in the development of new smart materials as it possesses both compressive and tensile magnetostriction, which makes it a potentially good choice for constructing both sensors and actuators.</p></div>","PeriodicalId":473,"journal":{"name":"Applied Physics A","volume":"132 11","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149098114","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Mixed ionic–electronic transport and polarization-driven energy storage in WO₃-doped P₂O₅–Li₂O–Bi₂O₃ glassy systems","authors":"Poulmi Banerjee,&nbsp;Dipankar Biswas,&nbsp;Arpan Mandal,&nbsp;Gurpreet Singh Matharou,&nbsp;K. Jithender Reddy,&nbsp;Rohit Kumar Singh Gautam,&nbsp;Kasturi Ghosh,&nbsp;Hafizur Rahaman","doi":"10.1007/s00339-026-10307-9","DOIUrl":"10.1007/s00339-026-10307-9","url":null,"abstract":"<div><p>Using the traditional melt-quenching method, WO₃-doped lithium bismuth phosphate glassy systems with composition xWO₃–(0.45 − x)P₂O₅–0.25Li₂O–0.30Bi₂O₃ (WPLB), where x = 0.05, 0.10, 0.15, and 0.20, were developed in order to examine their structural, thermal, electrical, dielectric, impedance, and energy-storage behaviour. Results obtained using X-ray diffraction studies show that the synthesized glasses are characterized by an amorphous nature along with the presence of weakly developed nanocrystalline phases, which proves the emergence of the glass structure with an increase in WO₃ content. The density increases from 4.03 to 4.21 g cm⁻³, while the molar volume increases slightly from 53.50 to 54.42 cm³ mol⁻¹ with increasing WO₃ content. As the WO₃ content increased, the glass transition temperature improved from 368.3 to 376.2 °C and the stability parameter ΔT increased from 133.1 to 143.4 °C, according to DSC analysis, indicating an improvement in thermal stability. Based on electrical conductivity studies, it was observed that the glasses possess thermally activated hopping conduction with a systematic reduction in DC activation energy from 0.75 eV to 0.24 eV and crossover activation energy from 0.73 eV to 0.30 eV. It suggests that the presence of lithium-ion movement along with tungsten polaron hopping, occurs in these glasses. The dielectric and electric modulus study verified the non-Debye relaxation through Havriliak-Negami modelling and broadened peaks of electric modulus. The impedance analysis indicated low semicircular loops and a drop in bulk resistance with increasing WO₃ content, suggesting better charge carrier movement and reduced barrier resistance. The P-E loops revealed an increase in recoverable energy density from 14.41 mJ/cm³ to 21.43 mJ/cm³ and efficiency from 61.78% to 72.79% as x increased from 0.05 to 0.20.</p></div>","PeriodicalId":473,"journal":{"name":"Applied Physics A","volume":"132 11","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149098435","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structural, optical, and electrochemical characterization of SrZrO₃ nanomaterials and their corrosion inhibition performance","authors":"N. P. Bhagya,&nbsp;Srilatha Rao,&nbsp;G. K. Prashanth,&nbsp;H. S. Lalithamba,&nbsp;A. Arathi,&nbsp;H. S. Yogananda,&nbsp;S. R Yashodha","doi":"10.1007/s00339-026-10295-w","DOIUrl":"10.1007/s00339-026-10295-w","url":null,"abstract":"<div><p>Although SrZrO₃-based materials have been extensively investigated for optical applications, their corrosion inhibition behavior has received limited attention. Furthermore, reports simultaneously investigating electrochemical and luminescent functionalities within the same SrZrO₃-based system remain scarce. In the first phase of this investigation, SrZrO₃ nanoparticles (SZ-NPs) were successfully synthesized and systematically evaluated as corrosion inhibitors for mild steel (MS) in a 1 M HCl environment. Electrochemical measurements, including potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS), were performed at 298 K to assess their corrosion inhibition performance. The results demonstrated a maximum inhibition efficiency of 51.20% at an optimal inhibitor concentration of 1500 ppm. The enhanced corrosion resistance imparted by SZ-NPs is attributed to the formation of a protective adsorbed layer on the mild-steel surface, which effectively suppresses both anodic and cathodic electrochemical reactions by blocking active corrosion sites, thereby significantly reducing metal dissolution and mitigating overall corrosion degradation. In the second part of this study, Eu³⁺-doped SrZrO₃ nanophosphors were synthesized to investigate their photoluminescence properties. Structural characterization confirmed that Eu³⁺ incorporation preserved the orthorhombic perovskite framework, while photoluminescence measurements revealed intense orange-red emission with optimum intensity at 7 mol% Eu³⁺ under 396 nm excitation. Collectively, these results demonstrate that the SrZrO₃ perovskite framework supports two independent functional applications—surface-mediated corrosion protection in its undoped form and rare-earth-activated optical emission through controlled lattice substitution.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":473,"journal":{"name":"Applied Physics A","volume":"132 11","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149098434","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Impact of adding cadmium to zinc oxide thin films on the structural, morphological, optoelectronic and photocatalytic properties for ecological applications","authors":"Khemissi Lahouel,&nbsp;Meriem Gasmi,&nbsp;Abdecharif Boumaza,&nbsp;Abdelkader Djelloul","doi":"10.1007/s00339-026-10278-x","DOIUrl":"10.1007/s00339-026-10278-x","url":null,"abstract":"<div><p>Transparent ZnO and Cd-doped ZnO thin films were fabricated on glass substrates utilising the sol-gel process applied by dip coating. This work explores the effects of cadmium adding on the structural, surface morphological, topographical, and optoelectronic characteristics of zinc oxide thin films as well as possible photocatalytic uses for them. X-ray diffraction analyses verified preferential development along the (002) plane, indicative of the wurtzite structure, with no supplementary phases present. The addition of Cd to ZnO resulted in a decrease in crystallite size from 42 nm to 37 nm at a concentration of 3 wt%, followed by an increase to 39 nm and 42 nm at 7 and 10 wt%, respectively. FESEM micrographs of the undoped, 7 wt%, and 10 wt% Cd-doped ZnO thin films reveal a uniform, homogeneous surface morphology characterised by evenly distributed spherical nanoparticles. In contrast, the 3 wt% Cd-doped sample exhibits a distinct granular structure punctuated by micropores. The EDS examination confirmed the successful incorporation of Cd into the ZnO lattice of the wurtzite-structured film. Atomic force microscopy (AFM) findings demonstrate that the RMS roughness diminishes from 115 nm to 99 nm at a doping level of 3 wt%, then escalates to 159 nm and 124 nm at concentrations of 7 wt% and 10 wt%, respectively. UV-Vis spectroscopy data demonstrate that the integration of Cd into the ZnO lattice results in a gradual reduction of the band gap energy, decreasing from 3.35 eV for undoped ZnO to 3.26 eV, 2.25 eV, and 3.22 eV for the Cd-doped ZnO samples doped at 10 wt%, 7 wt%, and 3 wt%, respectively. The photodetection study demonstrated that the incorporation of Cd markedly enhanced the devices’ sensitivity, reactivity, detectivity, and the rise and fall times. The ZnO sample doped with 3 wt% Cd exhibited enhanced efficiency in the degradation of methylene blue dye under solar radiation, achieving 98.35% degradation. The thin layer demonstrated improved stability and reusability after six recycling cycles. Furthermore, the trapping test results reveal that photogenerated holes (h⁺) are the primary active species, succeeded by hydroxyl radicals (•OH), with superoxide radicals (•O₂⁻) playing a secondary role in the photocatalytic process. The decomposition rate of MB under sunlight rose from 98.35% after 120 min to 99.99% after 60 min at H₂O₂ concentrations of 5 mM., These results demonstrate that Cd-doped ZnO possesses considerable potential for wastewater removal, thereby affirming its relevance for ecological uses.</p></div>","PeriodicalId":473,"journal":{"name":"Applied Physics A","volume":"132 11","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149098349","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhanced photostability and ice-nucleation catalytic activity in two-dimensional silver iodide","authors":"Xu Zhou,&nbsp;Hui Sun,&nbsp;Qiya Liu,&nbsp;Yongqin Hu,&nbsp;Lin Sun,&nbsp;You Yu,&nbsp;Lin Zheng,&nbsp;Xiping Zhou,&nbsp;Jianing Ma,&nbsp;Mu Lan,&nbsp;Tixian Zeng","doi":"10.1007/s00339-026-10293-y","DOIUrl":"10.1007/s00339-026-10293-y","url":null,"abstract":"<div><p>Silver iodide (AgI) serves as one of the most successful and widely used rainfall catalysts. This study investigates the structural, mechanical, electronic, and optical properties of two-dimensional (2D) AgI using first-principles calculations. The interlayer binding energy is comparable to graphene, suggesting that monolayer and few-layer AgI can be obtained via mechanical exfoliation. Phonon spectra confirm the dynamical stability of monolayer, bilayer, and trilayer AgI. Mechanically, 1 L AgI shows reduced in-plane stiffness compared to thicker layers and bulk, enhancing its flexibility for lattice matching with ice during heterogeneous nucleation. Electronically, AgI remains a direct bandgap semiconductor with the bandgap increasing from bulk to monolayer. This widening bandgap suppresses absorption in the blue‑violet region of sunlight, potentially improving photostability and reducing photodecomposition under solar irradiation. The binding energy of AgI/H₂O heterostructure is close to that of graphene. Our calculations show that 2D AgI exhibits favorable lattice matching and interfacial binding with ice, suggesting that it is a promising candidate for efficient heterogeneous ice nucleation. However, according to recent reports, lattice matching and interfacial interaction strength alone are not sufficient to determine heterogeneous ice-nucleation behavior. Direct evaluations of nucleation barriers or rates, as well as experimental validation, are needed to quantify the ice-nucleation efficiency of 2D AgI.</p></div>","PeriodicalId":473,"journal":{"name":"Applied Physics A","volume":"132 11","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149098430","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}