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Applied Surface Science: A Journal Devoted to the Properties of Interfaces in Relation to the Synthesis and Behaviour of Materials
North-Holland Publishing Company
Applied Surface Science: A Journal Devoted to the Properties of Interfaces in Relation to the Synthesis and Behaviour of Materials

North-Holland Publishing Company

半月刊

0169-4332

Applied Surface Science: A Journal Devoted to the Properties of Interfaces in Relation to the Synthesis and Behaviour of Materials/Journal Applied Surface Science: A Journal Devoted to the Properties of Interfaces in Relation to the Synthesis and Behaviour of MaterialsSCIISTPEIAHCI
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    Calcium-activated sodium cetyl sulfonate flotation for lepidolite: a combined DFT and experimental study on surface interaction mechanisms

    Lijuan ChenHaiwei HuangTianxing LiuHailong Li...
    163381.1-163381.16页
    查看更多>>摘要:The efficient separation of low-grade lepidolite (Li_2O: 0.3-0.6 %) from associated quartz/albite remains challenging due to their similar surface properties. This work pioneered an eco-friendly flotation system using sodium cetyl sulfonate (SCS) activated by Ca~(2+) ions under neutral pH conditions. Flotation tests validated 82.08 % lepidolite recovery with Li_2O grade upgraded from 1.25 % to 5.44 % in mixed minerals. Through integrated experimental characterization and density functional theory (DFT) simulations, we revealed the atomic-scale activation mechanism: (1) as confirmed by XPS characterization of Ca 2p (O-Ca configuration at 348.30 eV), Ca~(2+) preferentially adsorbed on lepidolite surfaces via Ca-O bridging, creating positively charged sites for SCS anchoring; (2) SCS chemisorbed on Al sites through O-Al coordination, evidenced by FTIR peak shifts and XPS Al 2p binding energy variations, achieving 65.2° contact angle enhancement; (3) DFT calculations demonstrated lepidolite's (001) surface exhibited 5 times lower surface energy and weaker hydration than albite, enabling selective SCS adsorption. These findings advance fundamental understanding of silicate mineral interfacial engineering, providing a green strategy for sustainable lithium extraction from refractory resources.

    Design of a highly efficient HgAg-based Heusler alloy electrocatalyst with fully-occupied d shell for the direct electrochemical H_2O_2 synthesis

    Hui GaoRuikuan XieGuo-Liang ChaiZhufeng Hou...
    163409.1-163409.9页
    查看更多>>摘要:Heusler alloys show significant promise in electrocatalysis owing to their unique crystal structures, tunable electronic properties, conductive behavior, and versatile elemental compositions. There are no reports on the application of Heusler alloys for the electrocatalytic production of H_2O_2. In this work, promising HgAg-based ternary transition metal (TM) full Heusler alloy (TM_2HgAg) catalysts were designed by the first-principles calculations based on density functional theory (DFT). The adsorption energies of reaction intermediates (*O, *OH, and *OOH) involved in H_2O_2 synthesis on TM_2HgAg(100) surface and the electronic structures were predicted by DFT calculations. The dependence of the catalytic performance of TM_2HgAg on the different transition metals was revealed by analyzing how they modulate the electronic structure of Ag atom exposed at the TM_2HgAg(100) surface. Our calculation results indicate that the Ni_2HgAg exhibits the most optimal strength of *O0H adsorption in a series of TM_2HgAg alloys, rendering it a highly promising catalyst. The overpotential for the 2-electron oxygen reduction reaction (2e" ORR) is only 0.015 V, with the rate-determining step being the generation of *OOH. The detailed analysis of the electronic structures reveals that the moderate contribution of the destabilization energy of the fully occupied Ag-4d orbital is a key factor in the ideal *OH adsorption on Ni_2HgAg(100). The moderate charge of the Ag-5s orbital allows for a suitable charge transfer between the surface Ag and *OH. This work illustrates the remarkable potential of HgAg-based ternary Heusler alloys as innovative catalysts for 2e~- ORR. Furthermore, it demonstrates how the catalytic performance of these alloys can be enhanced by the incorporation of different transition metals, which modulate the electronic structure of the surface Ag atom.

    Construction of MIL-68(In)/ZIS hierarchical tubular heterojunction from waste PET for photocatalytic selective oxidation of benzyl alcohol to produce benzaldehyde and H_2O_2

    Xuehai RenYubin WangJiang LiKefu Wang...
    163434.1-163434.11页
    查看更多>>摘要:The green preparation and effective separation of hydrogen peroxide (H_2O_2) are critical for sustainable development. In this study, MIL-68(In) was prepared from waste polyethylene terephthalate (PET) plastics , and subsequently, a S-scheme MIL-68(In)/ZIS hierarchical tubular heterojunction composite was fabricated via an in-situ vulcanization strategy. This composite was employed in a two-phase system of benzyl alcohol (BA) and H_2O for photocatalytic selective oxidation of BA and the production of H_2O_2. The results demonstrate that the MIL-68 (In)/ZIS catalyst exhibits not only intimate interfacial contact and high charge separation efficiency but also selective dispersion in the organic phase. Under visible light irradiation, benzaldehyde (BAD) and H_2O_2 can be produced at rates of 10,385 and 2419 μmol g~(-1) h~(-1), respectively. More importantly, the phase separation and collection of BAD and H_2O_2 were efficiently accomplished owing to their distinct aqueous and organic phases, respectively. This study offers a novel approach to the resource utilization of waste PET plastics and establishes a foundation for the green synthesis and efficient separation of H_2O_2.

    Regulation of the low-temperature processed TiO_2 buried interface to enhance the efficiency of CsPbI_2Br-based all-inorganic perovskite solar cells

    Hengzhuo CaiShengcheng WuZixi LiuJunfeng Lin...
    163473.1-163473.10页
    查看更多>>摘要:All-inorganic CsPbI_xBr_(3-x) perovskite solar cells (PSCs) exhibit excellent thermal stability and high efficiency, but their power conversion efficiency (PCE) remains lower than that of organic-inorganic hybrid PSCs. This is primarily due to the significant open-circuit voltage (V_(oc)) loss at the buried interface of electron transport layer (ETL) and perovskite film. Moreover, low-temperature processed TiO_2 ETL simultaneously suffers from more trap-states which will deteriorate the PCE and stability of PSCs. To solve these issues, zinc acetate (Zn(OAc)_2) is employed to optimize the TiO_2/CsPbI_2Br buried interface to reduce the V_(oc) loss and improve the PCE and device stability. This Zn(OAc)_2 interfacial modification0020increases the V_(oc) about 90 m V from 1.159 V to 1.248 V. Consequently, Zn(OAc)_2-modified CsPbI_2Br PSCs (Target I-PSCs) achieve a champion PCE of 14.91 % with a fill factor over than 80 %, which is significantly higher than the 12.25 % of reference I-PSCs. A series characterizations confirm that the improved performance is attributed to the increased electrical conductivity of the modified TiO_2 film, the passivated defects on the TiO_2 surface and the uncoordinated Cs~+/Pb~(2+) traps at the bottom of CsPbI_2Br film, as well as the optimized the energy level alignment to facilitate electron transport and collection. This work provides a feasible strategy to fabricate efficient and stable CsPbI_2Br I-PSCs by modifying the TiO_2/CsPbI_2Br buried interface by Zn(OAc)_2.

    Performance of silane-modified high-content aluminum-filled PA66 composite prepared under the function of electric field

    Jianxiang LinShaoping ChenZhenyang QiWenhao Fan...
    163477.1-163477.16页
    查看更多>>摘要:Significant physicochemical differences between metals and thermoplastics pose challenges for achieving strong interfacial bonding under conventional forming processes. This work presents a novel approach using an external electric field (EEF) to activate functional groups at metal-polymer interfaces, forming complex chemical bonds and strong heterogeneous connections. Silane-modified PA66 composites filled with high-content aluminum spheres were fabricated. Experimental results show that the chemical bonding between Al and PA66 under EEF is due to extensive functional group reactions and secondary bonding within Al-PA66 interface, achieving a remarkable ultimate tensile strength of 65 MPa for the composite with 50 wt% Al filling. Moreover, dissimilar joints of composites and 6061T6, made by friction stir welding, exhibit high strength due to the formation of a "Novel Net-Metallurgy Bonding Structure" during frictional heat transfer. This work provides new insights and theoretical guidance for interfacial bonding in metal-polymer heterogeneous interfaces.

    Crystallographic structure and properties tailoring of Ta_x(HfMoNbZr)_(1-x) films for biomedical applications

    Yiming RuanXixia LiuJigang XieJianqiao Wan...
    163486.1-163486.10页
    查看更多>>摘要:Long-term application of implant materials necessitates superior corrosion resistance, biocompatibility, and appropriate mechanical properties. To meet these requirements, protective coatings are often deposited on conventional bulk implant materials. This study introduces a novel high-entropy alloy, Ta_x(HfMoNbZr)_(1-x), developed as a protective coating for biomedical applications using direct current magnetron sputtering. We systematically examine the impact of tantalum (Ta) content on the structure and properties of Ta_x(HfMoNbZr)_(1-x) films by varying the discharge power of the Ta target (P_(Ta)). The results reveal that Ta_x(HfMoNbZr)_(1-x) films (x < 0.38) predominantly exhibit a body-centered cubic Ta-containing structure with low crystallinity, contributing to enhanced mechanical properties and corrosion resistance. In contrast, the formation of Ta-rich grains at higher Ta content leads to a decline in film hardness and corrosion resistance. The growth of these grains is attributed to the lower chemical stability of Ta, as supported by density functional theory calculations, and the positive mixing entropy of Ta with other elements. The Ta_(0.34)(HfMoNbZr)_(0.66) film demonstrates the lowest corrosion rate and the highest relative cell growth rate, underscoring its potential for biomedical use. This work provides valuable insights into the design and optimization of protective coatings for biomedical implants.

    Piezo-photocatalysis of 2,4-DCP using In_2O_3/BiVO_4 Heterojunction: Catalyst development and pollutant degradation mechanism

    Shan ZhongHan YangLishan ZhangGuoguan Liu...
    163488.1-163488.13页
    查看更多>>摘要:Improving the separation efficiency of photogenerated charge carriers via piezo-effect is a critical strategy for optimizing catalytic performance. In this study, In_2O_3/BiVO_4 (INBV) composite piezo-photocatalysts were synthesized via a two-step hydrothermal method. This composite catalyst demonstrated significantly enhanced catalytic activity due to the synergistic effect of ultrasonic vibration and visible light irradiation. Notably, the degradation efficiency of 40-INBV (40 mg) for 10 mg/L 2,4-dichlorophenol (2,4-DCP) reached 91.67 % within 60 min, representing 1.6-fold and 2.17-fold improvements over pure In_2O_3 (INO) and BiVO_4 (BVO), respectively. The type-S heterojunction structure between INO and BVO was identified as the primary factor driving the significant enhancement of piezo-photocatalytic performance in the composite catalysts. The constructed type-S heterojunction is driven simultaneously by the piezoelectric polarization field and the built-in electric field at the interface. Photoexcitation-induced holes preferentially accumulate on the BVO side due to its strong oxidizing capability, while electrons migrate to the INO side owing to its pronounced reducing property. This spatial separation of photogenerated carriers significantly enhances the production of •O_2~- and •OH radicals, which actively facilitate the redox degradation of 2,4-DCP. The findings of this study demonstrate significant potential for the rapid and efficient degradation of organic pollutants, offering a novel and practical approach to managing refractory pollutants in aquatic environments.

    Broadband synaptic photoresponse induced by the charged planar Te interlayer in epitaxial Te/GaN hybrid-heterojunction

    Wenmin LiYongqi HuXutao ZhangHao Hu...
    163492.1-163492.10页
    查看更多>>摘要:Broadband photodetection is crucial for a variety of advanced sensing applications like environmental monitoring, optical communication, and optoelectronic synapses. The emerging van der Waals (vdW) optoelectronic materials become important complementary to the conventional semiconductors, which are mostly optimized for specific spectral ranges. In this work, we report a new strategy to realize broadband synaptic photoresponse by growing the vdW material Te on Ⅲ-Ⅴ semiconductor GaN as an epitaxial hybrid-heterojunction that contains a functional charged planar Te interlayer. Apart from the combined wide-bandgap of GaN and the narrow-bandgap of tellurium, the photoresponse of the heterojunction is also boosted by the charged planar Te interlayer due to the polarization charge on GaN surface, giving rise to a broadband light detection across the ultraviolet-infrared (UV-IR) spectrum (200-2500 nm). The samples are grown by physical vapor deposition (PVD), while the devices are fabricated by a shadow-mask-assisted electrode deposition technique, both in ultra-high vacuum (UHV) environment. The optoelectronic transport measurements confirm the self-powered broadband photodetection and synaptic behavior of paired-pulse facilitation (PPF). First-principles calculations reveal that the interfacial planar Te interlayer combined with spontaneous polarization of GaN modulated the electronic properties of the heterojunction, affecting carrier dynamics under light illumination. This work paves the way for the development of advanced photodetectors with applications in optoelectronics and neuromorphic computing.

    Polishing mechanism of single-crystal silicon in fixed-abrasive chemical mechanical polishing with different solutions

    Xiaozhe YangShenglong ZhangFangming LianXu Yang...
    163494.1-163494.16页
    查看更多>>摘要:Chemical mechanical polishing (CMP) is a widely used polishing technique for Si wafers, but cost and environmental concerns have always been open questions. This study proposed a novel fixed-abrasive CMP (FACMP) using environmentally friendly salt solutions to improve polishing efficiency while reducing polishing costs. The surface modification of the Si surface in three kinds of salt solutions, i.e., ultrapure water, NaCl and Na_2CO_3 aqueous solutions, was investigated via three modification experiments and molecular dynamics (MD) simulations. Surface modification, mainly oxidation of the Si surface, occurred in these three liquids. Na_2CO_3 aqueous solution was found to be an effective liquid for modifying the Si surface, in which the highest modification rate was obtained. Etching of the Si surface occurred in the Na_2CO_3 aqueous solution, and CO_3~(2-) ions were involved in the modification and etching of the Si surface; an etching rate of 0.14 μm/h was observed. In addition, FACMP of 4-inch Si wafers was conducted in these three liquids, and the highest material removal rate of 4.252 μm/h was obtained in the Na_2CO_3 aqueous solution. This study provides a possible way to realize a low-cost, high-efficiency, and environmentally friendly polishing method for Si wafers and even other semiconductor materials.

    Optical fiber triethylamine room temperature gas sensor based on HMS platform with DFT calculation and Experimental Demonstration

    Yan-nan WangJin LiZhenyu YuanFanli Meng...
    163495.1-163495.15页
    查看更多>>摘要:An optical fiber triethylamine (TEA) gas sensor based on a hollow malposition structure (HMS) platform with CQDs@BiOBr gas-sensing layer is proposed. The CQDs@BiOBr gas-sensing material is coated onto the surface of the hollow core fiber (HCF) using a dip-coating method. The misaligned structure is designed to guide light transmission within the cladding of the HCF and excite the evanescent field. The heterojunction formed between CQDs and BiOBr enhances the separation efficiency of electron-hole pairs, improving the transfer speed of charge carriers during the gas adsorption process. Experimental results show that the sensitivity of sensor at room temperature is 3.53 pm/ppm, which is 2.43 times higher compared to a sensor coated with BiOBr alone. Additionally, the response and recovery times of sensor are 12 s and 36 s, respectively, with a limit of detection (LOD) of 5.67 ppm. DFT calculations provide insight into the electronic transfer pathways and electron cloud distribution during the gas adsorption process, further validating the crucial role of the CQDs@BiOBr heterojunction in enhancing gas-sensing performance. The proposed optical fiber TEA gas sensor shows significant potential for applications in environmental monitoring and industrial safety.