Mengjia Shi, Lihua Yuan, Junyan Su, Die Zuo, Youcai Zhang, Haimin Zhang, Jijun Gong, Jinyuan Ma
{"title":"Effect of Sc decoration and N-doping on the hydrogen storage capacity of 2D Irida-graphene monolayer: first-principles investigation","authors":"Mengjia Shi, Lihua Yuan, Junyan Su, Die Zuo, Youcai Zhang, Haimin Zhang, Jijun Gong, Jinyuan Ma","doi":"10.1016/j.apsusc.2025.164788","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164788","url":null,"abstract":"A novel graphene allotrope of Irida-graphene (IG) with metallic property has a promising medium for hydrogen storage. This study has investigated the hydrogen storage potential of scandium-decorated IG (Sc-IG) and its nitrogen-doped counterpart (Sc-NIG) by using first-principles calculations and ab initio molecular dynamics (AIMD) simulations. The Sc-IG system exhibits half-metallic characteristics. The binding energy of Sc on IG monolayer can reach up to −3.49 eV, and five H<sub>2</sub> molecules can be adsorbed around each Sc atom with the adsorption energy of −0.224 eV/H<sub>2</sub>, achieving a hydrogen storage capacity of 7.95 wt%. N-doping further enhances adsorption of H<sub>2</sub> molecules. For N-doped IG with Sc decoration, a Sc atom can adsorb up to seven H<sub>2</sub> molecules with the adsorption energy ranging from −0.198 to −0.308 eV/H<sub>2</sub>. The gravimetric density of the Sc-NIG system can reach 9.31 wt%. Analysis of electronic properties reveals that H<sub>2</sub> adsorption proceeds primarily by Kubas-type interactions and charge polarization mechanisms. AIMD simulations confirm the structural stability of Sc-IG at 700 K, which is higher than the estimated H<sub>2</sub> desorption temperature, indicating its potential application for reversible hydrogen storage.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"83 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145247438","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Facile construction of HOF@ZnO/TiO2 ternary composite for efficient photocatalytic degradation of dyes","authors":"Xuan Zheng, Jingyi Sun, Mei Yang, Zhongyue Li","doi":"10.1016/j.apsusc.2025.164829","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164829","url":null,"abstract":"In this study, a ternary composite photocatalyst, HOF@ZnO/TiO<sub>2</sub>, was constructed by physically integrating a hydrogen-bonded organic framework (HOF-TCPB) with ZnO/TiO<sub>2</sub>. The aim was to combine the excellent adsorption capacity of HOFs with the charge separation capabilities of the semiconductor composite to enhance photocatalytic efficiency. Comprehensive characterization revealed that the composite exhibited improved light absorption, enhanced charge carrier separation, and a broad operational pH window. The optimized HOF@ZnO/TiO<sub>2</sub> achieved a high methylene blue (MB) removal efficiency of 93%, with at least 65% of the overall removal resulting from photo-induced degradation, while adsorption also plays a significant role. Mechanistic studies, including radical scavenging and EPR analysis, confirmed the participation of reactive oxygen species (·O<sub>2</sub><sup>−</sup> and ·OH) in the degradation process, facilitated by the synergistic interactions among the three components and dye sensitization effects. This work provides a promising strategy for designing multifunctional photocatalysts by combining porous organic frameworks with semiconductor materials for practical environmental remediation applications.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"50 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145247490","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Suhong Lu , Chengyu Xu , Shuo Wang , Yewei Chen , Zhongtao Jiang , Xinru Chen , Jurong Liu , Yuzhen Fang , Guilong Liu
{"title":"Modulating the formaldehyde oxidation pathway via H2O2 etching on α-MnO2: the role of oxygen vacancies","authors":"Suhong Lu , Chengyu Xu , Shuo Wang , Yewei Chen , Zhongtao Jiang , Xinru Chen , Jurong Liu , Yuzhen Fang , Guilong Liu","doi":"10.1016/j.apsusc.2025.164828","DOIUrl":"10.1016/j.apsusc.2025.164828","url":null,"abstract":"<div><div>Engineering oxygen vacancies in α-MnO<sub>2</sub> represents an effective strategy for generating active oxygen species to enhance catalytic performance in HCHO oxidation. In this study, rod-like α-MnO<sub>2</sub> was synthesized via an in situ redox reaction between potassium permanganate (KMnO<sub>4</sub>) and methanol, followed by modulation of surface oxygen vacancies through the adjustment of H<sub>2</sub>O<sub>2</sub> etching time. Etching duration critically governed catalytic enhancement, with α-MnO<sub>2</sub>-E-2 (2 h etching) exhibiting exceptional activity, robust stability and complete HCHO conversion at 60 °C. Characterization revealed oxygen vacancies on the catalyst surface could be effectively regulated by modifying the H<sub>2</sub>O<sub>2</sub> etching time. Significantly, α-MnO<sub>2</sub>-E-2 demonstrated the highest (Mn<sup>2+</sup> + Mn<sup>3+</sup>)/Mn<sub>total</sub> ratio and lowest average oxidation state (AOS), directly correlating with maximized oxygen vacancy formation. The introduction of oxygen vacancies facilitated superior oxygen mobility and activation, thereby accelerating HCHO oxidation. In situ DRIFTS analysis further confirmed that only formate species were observed as intermediates on α-MnO<sub>2</sub>-E-2, demonstrating that H<sub>2</sub>O<sub>2</sub> etching simplified the reaction pathway to HCHO → HCOO<sup>−</sup> → H<sub>2</sub>O + CO<sub>2</sub>.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"717 ","pages":"Article 164828"},"PeriodicalIF":6.9,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145247496","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Simultaneous electronic structure optimization and gas-liquid-solid interface regulation in FeP/CoNiP heterostructures toward high-efficiency water splitting","authors":"Yongpeng Ren, Shuaikai Zhao, Yaru Li, Kunming Pan, Zongkui Kou, Haojie Li, Tao Jin, Xinyang Wu, Longze Zhao, Xin Jin, Fang Wang, Xiqiang Ma","doi":"10.1016/j.apsusc.2025.164698","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164698","url":null,"abstract":"Designing highly active and stable transition metal phosphate catalysts<!-- --> <!-- -->is important for water splitting at high current density. The microelectronic structure and mesoscopic surface properties of electrocatalysts significantly influence the activity of water splitting and the characteristics of molecular dynamics, respectively. Herein, a nanorod-shaped FeP/CoNiP heterostructure on nickel foam (FeP/CoNiP/NF) was successfully synthesized, which exhibited exceptional performance for HER and OER. The electron transferring from FeP to CoNiP during reaction, which regulates the adsorption energy of hydrogen intermediates and promotes the generation of oxyhydroxide. The nanorod-shaped structure can facilitate efficient gas bubble generation and release at high current density, attributed to its superior hydrophilic and superaerophobicity properties. Consequently, the electrocatalyst requires relatively low overpotentials of 76/159 mV at the current density of 10/100 mA cm<sup>−2</sup> for HER, respectively, and a reduced potential of 1.49 V at 100 mA cm<sup>−2</sup> for OER. The FeP/CoNiP/NF||FeP/CoNiP/NF obtains only 1.45 V to achieve a current density of 10 mA cm<sup>−2</sup> with a long-term stability of 200 h. This study implements FeP/CoNiP heterostructures for electronic structure engineering while constructing nanoarray architectures to regulate gas–liquid-solid interfaces, offering new mechanistic insights for developing high-efficiency bifunctional electrocatalysts in sustainable water splitting systems.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"83 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145247494","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jian Peng , Weijin Chang , Yuanmin Zhu , Jilin Liu , Ning Peng
{"title":"Multimetal cyanide coordinated Prussian blue analogues enable high-capacity and stability in aqueous aluminum-ion batteries","authors":"Jian Peng , Weijin Chang , Yuanmin Zhu , Jilin Liu , Ning Peng","doi":"10.1016/j.apsusc.2025.164811","DOIUrl":"10.1016/j.apsusc.2025.164811","url":null,"abstract":"<div><div>Traditional copper hexacyanoferrate (CuHCF) cathodes suffer from the intrinsic capacity limitation of a single low-spin Fe-C active site and structural degradation caused by lattice distortion, severely hindering their practical viability in aqueous Al-ion batteries (AAIBs). Herein, a multi-ligand synergism is innovatively proposed to achieve a multimetal cyanide-coordinated CuHCF-811 cathode for AAIBs by partially substituting Fe-C metal sites with Co/Ni. The theoretical simulations reveal that the incorporated Co/Ni coordinated with carbon enhances the redox activity of transition metal centers via d-orbital hybridization, while forming a three-dimensional interpenetrating electronic transport network to enable superior Al<sup>3+</sup> storage. Additionally, the co-occupation of Fe/Co/Ni at M<sub>2</sub> metal sites within the CuHCF-811 framework strengthens M−C bonding, thereby improving structural stability. Operando characterization demonstrates that lattice parameter variations of CuHCF-811 during cycling are limited to 1.0 %, highlighting exceptional structural stability. Consequently, the CuHCF-811 cathode delivers a large capacity of 90.7 mAh g<sup>−1</sup>, with 78.8 % capacity retention over 2000 cycles at 1 A g<sup>−1</sup>. A full cell with excellent performance is further achieved by coupling the CuHCF-811 cathode and MoO<sub>3</sub>@PPy anode, demonstrating the great potential of CuHCF-811 in practical applications. This work highlights the multi-ligand synergistic effect in PBA-based cathodes as a promising pathway for advancing high-performance AAIBs and multivalent-ion battery systems.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"717 ","pages":"Article 164811"},"PeriodicalIF":6.9,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145247495","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Imane En-Naji , Zhiyuan Peng , Yilu Su , Amir Khojastehnezhad , Mohamed Siaj
{"title":"Boosted charge carrier dynamics in WO3 photoanodes engineered through a one-step electrochemical post-treatment for efficient photoelectrochemical water splitting","authors":"Imane En-Naji , Zhiyuan Peng , Yilu Su , Amir Khojastehnezhad , Mohamed Siaj","doi":"10.1016/j.apsusc.2025.164827","DOIUrl":"10.1016/j.apsusc.2025.164827","url":null,"abstract":"<div><div>Strengthening intrinsic charge transport via defect engineering is an effective strategy to optimize the photoelectrochemical (PEC) water splitting properties of tungsten oxide (WO<sub>3</sub>) photoanode. In this work, a modified and effective electrochemical post-treatment approach has been developed to introduce abundant oxygen vacancies into highly-ordered WO<sub>3</sub> nanoplate arrays, yielding oxygen-deficient WO<sub>3-x</sub> photoanode. Electrochemical tests and energy band structural analyses reveal that the generated oxygen vacancies, acting as shallow donors, significantly increase the overall carrier density, electrical conductivity, and built-in electric field (band bending), thereby contributing to the promotion of both bulk charge separation and interfacial charge injection efficiency (up to ∼ 90 % at 1 V<sub>RHE</sub>). As a result, the optimized WO<sub>3-x</sub>-Re60 photoanode demonstrates a dramatically improved photoresponse, delivering a maximum photocurrent density of 1.1 mA/cm<sup>2</sup> at 1.23 V<sub>RHE</sub>, representing a 440 % increment over the pristine WO<sub>3</sub>, and is simultaneously accompanied by a negatively shifted onset potential of 0.24 V and boosted photon-to-current conversion efficiency. Overall, this work elucidates the critical role of oxygen vacancies in governing charge-carrier dynamics in WO<sub>3</sub> and demonstrates a practical defect-engineering strategy for designing efficient photoanodes toward solar-driven water oxidation.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"717 ","pages":"Article 164827"},"PeriodicalIF":6.9,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145247492","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Haoran Yuan, Yu Song, Zhenyu Wei, YuLong Liu, Yuping Wang
{"title":"Electromagnetic wave loss properties of N-doped carbon-coated Fe3O4 nanosheets: A spectrum analysis study","authors":"Haoran Yuan, Yu Song, Zhenyu Wei, YuLong Liu, Yuping Wang","doi":"10.1016/j.apsusc.2025.164817","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164817","url":null,"abstract":"Carbon-based magnetic composites are recognized for their excellent electromagnetic wave (EMW) loss capabilities, which arises from the synergistic effect of dielectric loss and magnetic loss. However, the intricate composition-structure–property relationships in these composites remain poorly understood due to their structural complexity. Herein, we systematically investigate the EMW loss properties in two-dimensional N-doped carbon-coated Fe<sub>3</sub>O<sub>4</sub> nanosheet (Fe<sub>3</sub>O<sub>4</sub>NS@NCs) through combined experimental and theoretical approaches. In particular, the Cole–Davidson (C–D) model was employed to simulate the dielectric spectra, from which key fitting parameters (including relaxation frequency, electrical conductivity and dielectric strength) were extracted. Quantitative comparison of these parameters across different Fe<sub>3</sub>O<sub>4</sub>NS@NCs contents (30–50 wt%) revealed content-dependent dielectric relaxation behavior. Furthermore, the Gilbert-modified Landau-Lifshitz (LLG) equation successfully modeled the permeability spectra, identifying three characteristic resonance peaks at 3.3, 4.5, and 8.5 GHz. Theoretical analysis based on Aharoni’s exchange resonance theory confirmed that the multiple resonances originate from intergranular magnetic coupling. The unique anisotropic architecture and Fe<sub>3</sub>O<sub>4</sub>/C interfacial synergy endow the Fe<sub>3</sub>O<sub>4</sub>NS@NCs with threefold enhancement mechanisms: (i) the intensified magnetic resonance, (ii) optimized dielectric relaxation, and (iii) improved impedance matching. These synergistic effects result in exceptional broadband absorption performance, achieving reflection loss (<em>R</em><sub>L</sub>) lower than −10 dB (corresponding to 99.9 % absorption) in a large frequency (<em>f</em>) range of 4.1–18.0 GHz with a minimum <em>R</em><sub>L</sub> (<em>R</em><sub>L, min</sub>) of −50.2 dB at <em>f</em> = 7.6 GHz (thickness: 3.5 mm). Radar cross-section (RCS) simulations corroborate these findings, demonstrating a significant RCS reduction of −18.77 dBm<sup>2</sup> at the target frequency. This study fundamentally elucidates the dielectric/magnetic loss properties in carbon-based magnetic composites, establishing a design paradigm for tunable electromagnetic absorbers.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"101 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145247489","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Chao Zhang , Tianhao Sun , Shuangping Xu , Juncheng Ma , Mingyu Zhang , Yanqing Qu , Hongge Jia , Jingyu Xu , Xing Wang
{"title":"Polyacrylonitrile-loaded bismuth (Bi) porous carbon materials for efficient adsorption of iodine vapour","authors":"Chao Zhang , Tianhao Sun , Shuangping Xu , Juncheng Ma , Mingyu Zhang , Yanqing Qu , Hongge Jia , Jingyu Xu , Xing Wang","doi":"10.1016/j.apsusc.2025.164833","DOIUrl":"10.1016/j.apsusc.2025.164833","url":null,"abstract":"<div><div>Bismuth-based materials are regarded as green materials for dealing with radioactive iodine. However, the sole use of Bi has problems such as agglomeration. Dispersing Bi in the matrix material to overcome the disadvantage of Bi’s easy agglomeration to prepare Bi-based composites with low cost and high adsorption capacity is an urgent need for iodine gas capture. Here, five kinds of Bi-containing polyacrylonitrile (PAN) porous carbon materials (Bi/PAN-P) were prepared by thoroughly mixing Bi as adsorbent with contents of 10 wt%, 20 wt%, 30 wt%, 40 wt% and 50 wt%, PAN as the matrix and dimethyl sulfoxide (DMSO) as the solvent, and then carbonizing. The results show that the Bi loaded on Bi/PAN-P is uniformly distributed and the material is mainly mesoporous. It has a rapid adsorption rate for gaseous iodine, reaching more than 50 % of the maximum adsorption capacity within the first 90 min, and its speed far exceeds the adsorption rate of pure PAN carbon materials. Especially when the Bi content is 30 wt%, the iodine adsorption capacity reaches 4057 mg/g, which is about 20 times that of commercial silver exchange zeolite. Based on experimental and model simulation results, the adsorption of iodine by Bi/PAN-P mainly through chemical adsorption.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"717 ","pages":"Article 164833"},"PeriodicalIF":6.9,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145247491","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Yishen Sun , Jin Yao , Wanzhong Yin , Haoran Sun , Shuo Yang
{"title":"Efficient separation of quartz from magnesite via DDAC: Insights into site-specific electrostatic adsorption mechanism","authors":"Yishen Sun , Jin Yao , Wanzhong Yin , Haoran Sun , Shuo Yang","doi":"10.1016/j.apsusc.2025.164816","DOIUrl":"10.1016/j.apsusc.2025.164816","url":null,"abstract":"<div><div>A novel mechanism of site-specific electrostatic adsorption was identified for the selective flotation of quartz and magnesite using didecyldimethylammonium chloride (DDAC). DDAC molecules preferentially interact with the oxygen-containing sites on quartz surfaces, forming a hydrophobic layer with an adsorption capacity of 22.4 mg C/g, 7.5 times greater than on magnesite (3.0 mg C/g). This selective adsorption alters key interfacial properties, increasing the contact angle of quartz by 50.3° (vs. 0.7° for magnesite) and shifting its isoelectric point by 7.11 pH units (vs. 0.17 for magnesite). The stability and density of this interaction were confirmed by density functional theory and molecular dynamics simulations, which revealed a HOMO–LUMO gap of 6.802 eV and a nitrogen atom density peak 2.38 times higher on quartz. This interfacial modification enhanced flotation separation efficiency: a recovery difference of 92.54 % was achieved under optimized conditions (pH = 5, DDAC concentration = 20 mg/L, Rotational speed = 2000 rpm), and the SiO<sub>2</sub> content in the magnesite concentrate was reduced to 0.41 % in the magnesite-quartz 9:1 mixed system. This work reveals a previously unreported adsorption-based separation mechanism, offering a new strategy for magnesium resource purification.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"717 ","pages":"Article 164816"},"PeriodicalIF":6.9,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145229332","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Xinyao Hu , Yizhou Liu , Tongyu Wu , Zhengdong Luo , Xinyu Li , Boyuan Yin , Dongzhao Jin , Fu Xu
{"title":"Taming chaos: alkali-catalyzed nano-SiO2 for frictional stability and microstructural reinforcement in slag-based geopolymers","authors":"Xinyao Hu , Yizhou Liu , Tongyu Wu , Zhengdong Luo , Xinyu Li , Boyuan Yin , Dongzhao Jin , Fu Xu","doi":"10.1016/j.apsusc.2025.164824","DOIUrl":"10.1016/j.apsusc.2025.164824","url":null,"abstract":"<div><div>The mechanical properties of materials, both at microscopic and macroscopic levels, are strongly influenced by dynamic interactions within their internal structures. This study investigates the effects of nano-SiO<sub>2</sub> on the mechanical performance, microstructure, and frictional dynamics of FA/GGBFS-based geopolymers under different catalytic conditions and dosages. Using techniques such as XRD, SEM, and AFM, combined with multi-scale analysis, the research reveals the roles of nano-SiO<sub>2</sub> concentration and catalytic environment in regulating the properties of FA/GGBFS geopolymers. The findings indicate that optimizing these parameters significantly improves geopolymer performance. Alkali-catalyzed nano-SiO<sub>2</sub> (AlkS) demonstrates clear advantages over acid-catalyzed systems (AcS). The GP-AlkS16 sample stands out, showing a 69.8 % increase in compressive strength at 28 days, better surface uniformity (μ = 0.43), and greater frictional dynamic stability (R = 0.3). Furthermore, Lyapunov exponent analysis highlights a transition in the alkali-catalyzed system from chaotic to stable dynamics (λ = −0.0165), effectively reducing stick–slip phenomena. In contrast, acid-catalyzed SiO<sub>2</sub> and higher dosages of alkali-catalyzed SiO<sub>2</sub> offer moderate improvements, but particle agglomeration limits their effectiveness.</div></div>","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"717 ","pages":"Article 164824"},"PeriodicalIF":6.9,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145235129","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}