Applied Surface Science最新文献

{"title":"Synthesis and properties of high near-infrared reflectance BaZn1−xNixSiO4 purple pigments","authors":"Liangsheng Tian, Menghang Qi, Zhiwei Wang, Hang Zhao, Xin Xin, Wongsathorn Kaewraung, Suwit Suthirakun, M.A. Subramanian, Peng Jiang","doi":"10.1016/j.apsusc.2025.164799","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164799","url":null,"abstract":"The rapid urbanization has intensified the urban heat island (UHI) effect, increasing cooling energy demand and greenhouse gas emissions, posing a challenge for sustainable, low-carbon development. Cool pigment coatings with high near-infrared (NIR) reflectance offer great potential to mitigate this effect. In this study, a novel purple pigment BaZn_1-<em>_x</em>Ni<em>_x</em>SiO₄ with high NIR reflectance was synthesized using a high-temperature solid-state method. The as-synthesized BaZn_1-<em>_x</em>Ni<em>_x</em>SiO₄ solid solution belongs to the <em>P6₃</em> space group. XPS analysis confirmes that the oxidation state of Ni is +2. The purple color of the solid solution is due to the ³T₁(³F)→³T₁(³P) and ³T₁(³F)→³A₂(³F) transition of Ni²⁺ in the tetrahedral sites. First-principles calculations investigate the effects of Ni doping on the electronic structure and color of BaZnSiO₄, revealing that the introduced states reduce the band gap and result in a purple pigment. Due to the excellent near-infrared solar reflectance (74.8 %) of the pigment, purple coatings with improved solar reflectance were prepared. Moreover, the pigment was successfully introduced into superhydrophobic polymer to fabricate a multifunctional coating, providing a promising candidate with both high solar reflectance and self-clean properties.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"122 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145261120","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":"Low volume expansion in S/O diatomically modified hard carbon for stable Na ion storage","authors":"Jiarui Zhang, Hang He, Ruihang Wen, Kun Luo","doi":"10.1016/j.apsusc.2025.164868","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164868","url":null,"abstract":"Sodium ion batteries (NIBs) show significant potential battery alternatives for lithium ion batteries (LIBs) large-scale energy grid storage. The development of cost-effective anodes for NIBs has become one of the most significant goals in contemporary society, which is characterized by high energy consumption. With merits of high abundance, sustainability and low cost, carbonaceous materials are utilized as highly promising NIB anodes. However, the commonly used carbon materials often suffer from large volume change upon Na⁺ ion intercalation/de-intercalation, leading to unsatisfactory capacity and poor cycling stability of NIBs. This study presents a chemical carbon etching strategy for the synthesis of sulfur (S)/oxygen (O) diatomically modified hard carbon with low volume expansion as a new type of anode for NIBs by the thermolysis of disused sunflower biomass. The S/O diatomically modified on the carbon matrix provides lower adsorption energy for sodium ion adsorption (−3.87 eV), effectively enhancing sodium storage capacity. Structural characterizations reveal that the S/O-modified hard carbon exhibits expanded interlayer spacing (0.392 nm) and large surface area per unit mass (227.7 m² g⁻¹). Density functional theory (DFT) simulations validate that the S/O diatomic modification on carbon promotes sodium cation adsorption and storage, and the volume expansion upon Na ion intercalation is only 2.5 %. Electrochemical measurements demonstrate that the hard carbon electrode provides superior charge–discharge retention (294 mAh g⁻¹ at 0.03 A g⁻¹) and exceptional long-term cycle stability (∼86 % preservation after 20,000 cycles at 5 A g⁻¹). The practical cell was assembled by pairing this anode with a layered oxide cathode, showing highly sustainable capacity (129 mAh g⁻¹) and exceptional long-term cycling stability (86 % after 100 cycles). In addition, the full cells are able to work in a broad operation temperature from −30 to 40 °C (138mAh g⁻¹ at 40 °C and 110mAh g⁻¹ at −30 °C). This synthesis route not only enhances the economic viability of biomass hard carbon materials but also highlights their environmental sustainability, which holds great promise for advancing improvement of high-efficiency NIBs.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"18 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145260765","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":"HKUST-1 assisted liquid metal in constructing polydimethylsiloxane-based composites for improving thermal conductivity","authors":"Qiuchan Li, Jun Tao, Wenbin Wu, Junyan Wang, Yuhang Li","doi":"10.1016/j.apsusc.2025.164860","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164860","url":null,"abstract":"The development of multifunctional and high-performance polymer-based thermal interface materials is extremely challenging due to the interfacial thermal resistance arising from phonon scattering. Herein, a simple and effective strategy is proposed to construct polydimethylsiloxane (PDMS)-based composites (PHPL) with enhanced thermal conductivity using HKUST-1 as a three-dimensional skeleton. The results indicate that PHPL exhibits outstanding thermal performance, with a thermal conductivity of 1.47 W m⁻¹ K⁻¹, which is 764.7 % higher than that of PDMS, and the maximum temperature change achieved was 20.4 °C. More importantly, the deicing efficiency of the PHPL composites was significantly increased by 107.1 %, while Young’s modulus rose to 1.70 MPa. In addition, finite element simulation results revealed that the improvement in thermal conductivity can be attributed to the formation of a continuous thermal conductivity network within the polymer and the establishment of a high thermal conductivity pathway, thereby significantly reducing interfacial thermal resistance and facilitating effective heat transfer. This work not only provides new insights into the application of metal–organic frameworks, but also serves as a reference for the design and synthesis of efficient thermal interface composites.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"86 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255211","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":"Enhanced corrosion resistance at the heterogeneous LPBF SS316L-DED IN625 interface by different hybrid manufacturing strategies","authors":"Bo Zhao, Xiuzhen Zhang, Saneej N. Samad, Nadia Kouraytem, Dengshan Zhou, Yehia Khalifa, Shuaihang Pan","doi":"10.1016/j.apsusc.2025.164866","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164866","url":null,"abstract":"Hybrid laser additive manufacturing, which combines laser powder bed fusion (LPBF) and direct energy deposition (DED), integrates the precision of LPBF with the flexibility of DED. While most studies have focused on mechanical performance, corrosion behavior at the interface has been rarely explored. This study investigates the corrosion behavior at the hybrid manufactured interface between LPBF stainless steel 316L (SS316L) and DED Inconel 625 (IN625) by comparing two interface transition strategies: direct transition (DT) and 50 %-50 % mixing transition (50/50). The interfacial microstructure, element distribution (particularly Nb), and passive film have been characterized to elucidate the corrosion behavior. Our results indicate that, compared to the 50/50 sample, Nb tends to accumulate at the DT interface predominantly in the form of solid solution and exhibits a lower tendency to precipitate as Nb-containing phases. This state enhances the diffusion tendency of Nb, raising its chemical potential and partially compensating for the activation energy required for further oxidation to Nb₂O₅ during anodic polarization under high voltage. Consequently, passive film integrity and secondary passivation behavior are improved, thus enhancing corrosion resistance of the hybrid-manufactured components. This work provides critical insights for optimizing corrosion resistance through tailored hybrid manufacturing strategies in advanced additive manufacturing systems.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"62 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255290","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":"Iron-catalyzed selective thermochemical etching achieves planarization of polycrystalline diamond","authors":"Nian Liu, Hao Lu, Haoran Wang, Yongjie Zhang, Junfeng Xiao, Jianguo Zhang, Xiao Chen, Jianfeng Xu","doi":"10.1016/j.apsusc.2025.164863","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164863","url":null,"abstract":"A contact iron-catalyzed selective thermochemical etching technique is proposed for surface planarization of polycrystalline diamond (PCD) films. In the heating system consisted of C (diamond), Fe, O elements, the thermochemical etching of diamond areas contacted with Fe exhibits significant priority compared to areas uncontacted with Fe. With such pronounced selectivity, the in-situ observations confirm that the planarization of PCD is realized with pyramid-shaped protrusions in contact with Fe plate preferentially removed at the temperature of 1000, 1050 ℃. Fe₃C is detected on PCD surface and the decomposition of the metastable Fe₃C leads to the generation of graphite, which is the major route causing this selectivity. The atomic-scale mechanism of selectivity is investigated using multi-scale simulations. The iron element reduced energy barrier for oxidation reaction of diamond with O element, proving the selectivity properties of iron-catalyzed thermochemical etching. C atoms at top areas contacted with Fe atoms are activated into non-diamond structure by forming Fe₃C at diamond–Fe interface. As all the C atoms forming the protrusions are immersed in O atoms simultaneously, the activated C atoms contacted with Fe atoms were preferentially removed.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"114 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255292","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":"The tether compound/backfiller ratio impacts protein pore formation in the artificial lipid membrane","authors":"Tadas Ragaliauskas, Martynas Talaikis, Ringailė Lapinskaitė, Rita Sadzevičienė, Jurgis Sūdžius, Vaidas Pudžaitis, Marija Jankunec, Rima Budvytytė, Linas Labanauskas","doi":"10.1016/j.apsusc.2025.164858","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164858","url":null,"abstract":"The tether that anchors the lipid bilayer to the solid surface is a key component of tethered lipid membranes, which mimic biological membranes. The obtained lipid bilayers with high electrical sealing properties facilitate the application of electrochemical impedance spectroscopy (EIS) to assess conductivity and defectiveness resulting, for example, from pore-forming toxins. However, it remains uncertain whether the tether compound in the lipid membrane impacts only EIS sensitivity or also influences analyte (protein) function. Thus, we investigated how the lipid membrane properties change by varying the amount and the length of the tether compound. Following this, the membranes were exposed to the pore-forming toxin pneumolysin produced by <em>Streptococcus pneumoniae</em>. Several methods were used, including surface plasmon resonance for binding analysis, surface-enhanced infrared absorption spectroscopy for structural insights, EIS for quantifying the pores, and atomic force microscopy for morphological characterization. The study highlights two key observations. First, the composition of mixed self-assembled monolayers deviates from that of the preparative solution. Second, the quantity of tether compounds present in the lipid membrane influences protein oligomerization due to the minor steric hindrance introduced by these compounds. These insights should be helpful in utilizing tethered lipid membranes as a tool to mimic cell membrane viscosity","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"109 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255208","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":"Atomic-scale study on nanoparticle removal mechanism during post-Cu CMP cleaning process using ReaxFF MD","authors":"Lifei Zhang, Qinyang Zeng, Yating Huang, Dewen Zhao, Yongquan Xiao, Zhengmiao Fu","doi":"10.1016/j.apsusc.2025.164864","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164864","url":null,"abstract":"The removal of silica (SiO₂) nanoparticles on the surface of the copper (Cu) wafer during the post chemical mechanical polishing process has not yet been researched at the atomic level, making it difficult to achieve nanoparticle-free cleaning performance. In this work, the deposition and removal processes of SiO₂ nanoparticles on Cu (1 1 1) surface in water, ammonium hydroxide and citric acid were studied by reactive force field molecular dynamics (ReaxFF-MD) simulation. The surface state of the copper substrate after pretreatment, the chemical bond evolution, and the mechanisms of different chemicals on nanoparticle removal were researched. The results show that water molecules promote the cleavage of Si-O-Cu bonds through chemical decomposition. Ammonium hydroxide dehydrogenates water molecules adsorbed on the copper surfaces to form hydroxyl groups through dissociation reaction, thereby increasing the electrostatic repulsion and suppressing the deposition. Simultaneously, more surface damage is produced since it could enhance the reactivity of Cu atoms. Citric acid could chemically adsorb onto the Cu substrate, hindering the contact between nanoparticles and the copper surface and promoting the lateral movement of nanoparticles. This work provides atomistic insights into the wafer cleaning process after chemical mechanical polishing, which is of great significance for the design of cleaning solutions.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"66 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255210","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":"Efficient aerobic oxidation of amines to imines catalyzed by two-dimensional ultrathin δ-MnO2","authors":"Fushan Chen, Chao Yuan, Dongsheng Liu, Simin He, Zian Ye, Xianjiang Song, Yue Shen, Shijie Xia, Min Guo, Tao Yang","doi":"10.1016/j.apsusc.2025.164830","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164830","url":null,"abstract":"The selective oxidation of amines to imines is a key reaction in heterogeneous catalysis. However, the reported catalysts suffer from high cost, complicated preparation processes, low catalytic activity, and poor selectivity. Herein, two-dimensional (2D) δ-MnO₂ is reported for the first time as a robust catalyst for the aerobic oxidation of amines to imines while avoiding over-oxidation of amines at full conversion. Compared with δ-MnO₂ after first exfoliation and bulk δ-MnO₂, δ-MnO₂ after second exfoliation (S-MnO₂) displayed a 2D ultrathin nanosheet birnessite-type structure, larger specific surface, higher content of active lattice oxygen and surface hydroxyl groups, and higher Mn³⁺/(Mn⁴⁺+Mn²⁺) ratio. Among the three catalysts, S-MnO₂ not only gave 95.0 % imine selectivity at 99.1 % conversion, but also exhibited the highest catalytic activity with a turnover frequency (TOF) as high as 2.29 h⁻¹, which was far superior to other existing protocols. The Mn³⁺/(Mn⁴⁺+Mn²⁺) ratio and active lattice oxygen were found to play pivotal roles in enhancing the catalytic activity. A plausible mechanism for benzylamine oxidation catalyzed by 2D ultrathin δ-MnO₂ was proposed. This study offers novel insights into the Mn-catalyzed aerobic oxidation of amines, serving as a significant complement to the applications of 2D manganese oxides.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"63 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255212","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":"Breaking symmetry: enhanced propane dehydrogenation via asymmetric oxygen vacancies from vanadium doped ZrO2 catalysts","authors":"LingLing Shang, YuQing Tang, XiaoYing Sun, Zhen Zhao, Bo Li","doi":"10.1016/j.apsusc.2025.164847","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164847","url":null,"abstract":"Zirconia, ZrO₂, has attracted considerable attention due to its outstanding catalytic performance in the propane dehydrogenation (PDH) reaction, primarily attributed to the high reactivity of coordinatively unsaturated zirconium sites (Zr_cus) around oxygen vacancies. As an effective strategy for modulating the active sites on the zirconia surface, metal doping has been found to significantly optimize its catalytic performance. In current work, DFT calculations and microkinetic simulations were combined to systematically investigate the catalytic mechanism of vanadium-doped ZrO₂ in the PDH reaction. V doping caused the significant changes of both geometry and electronic structure regarding of Zr_cus, and in particularly V doping induced the formation of an asymmetric oxygen vacancy, where the adjacent V and Zr_cus <!-- -->sites exhibit significant asymmetric electron distribution, thereby effectively enhancing catalytic activity. Specifically, V doping not only significantly reduces the energy barrier for C–H bond activation in propane but also facilitates hydrogen molecule desorption. Moreover, the reaction mechanism is also altered by V doping compared with pristine catalyst as the strong rate dependence on the product desorption observed on undoped surface is largely reduced after V doping which is benefit for product formation. This study provides important guidance for designing highly efficient and environmentally friendly PDH catalysts.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"11 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255286","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":"Surface adsorption and dissolution mechanisms of UO2 (110) and (111) in oxidizing environments: Insights for sustainable nuclear fuel recycling","authors":"Yu-Fei Li, Zhan-Peng Ye, Yong-Bin Zhang, Hua-Ping Mao, Tao Gao","doi":"10.1016/j.apsusc.2025.164861","DOIUrl":"https://doi.org/10.1016/j.apsusc.2025.164861","url":null,"abstract":"The interfacial reaction of uranium dioxide (UO₂) in humid environments is critical for nuclear safety and storage but remains poorly understood. This study employs first-principles DFT + U calculations to investigate O₂ and H₂O₂ adsorption on UO₂ (110) and (111) surfaces and their impact on surface dissolution behavior. The results reveal both physical and chemical adsorption of O₂, alongside dissociative adsorption of H₂O₂. The vibrational frequencies of O₂ with bond lengths of 1.235 Å–1.254 Å is 1451.0 cm⁻¹–1509.5 cm⁻¹, while O₂ with bond lengths of 1.334 Å–1.338 Å shows frequencies of 1133.6 cm⁻¹–1184.1 cm⁻¹, suggesting non-dissociative O₂ behaves as superoxide (O₂^–). To elucidate the atomistic evolution of oxidized surfaces in moist air or oxidizing solutions, we further explored interactions between H₂O molecules and the most stable O₂/H₂O₂ adsorption configurations. Results show that H₂O dissociates into OH groups and H atoms, forming U–O and H–O bonds. This work provides new insights into O₂/H₂O₂ adsorption morphologies on UO₂ surfaces and their interactions with water at oxide interfaces.","PeriodicalId":247,"journal":{"name":"Applied Surface Science","volume":"35 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255287","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}