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Investigating Ohmic contacts in PtSe2-based electronics 研究基于ptse2的电子器件中的欧姆接触

IF 6.2 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-09-22 DOI: 10.1016/j.flatc.2025.100943

M. Sojková , O. Pohorelec , J. Hrdá , T.E. Krajčovičová , A. Kozak , L. Pribusová Slušná , T. Ščepka , M. Hulman , M. Maťko , V. Vretenár , I. Píš , F. Bondino , M. Ťapajna , D. Gregušová

Transition metal dichalcogenides (TMDs) hold significant promise for next-generation electronic devices due to their unique electrical and structural properties. However, the performance of TMD-based devices is strongly influenced by the nature of the metal–semiconductor contacts. Achieving low-resistance, stable, and efficient contacts remains a key challenge and a crucial factor in fully realizing the potential of TMD materials in practical applications. In particular, platinum diselenide (PtSe₂) has emerged as a compelling candidate due to its tunable electronic properties and suitability for scalable synthesis. Advanced fabrication and precise contact engineering are key to minimizing interfacial degradation and maximizing device performance.

In this study, epitaxial PtSe₂ layers were synthesized on c-plane sapphire, providing an ideal platform for scalable device fabrication. PtSe₂-based electronic structures were fabricated by a two-resist lift-off technique combined with a one-zone chalcogenization approach.

We have focused on the systematical contact engineering investigation by evaluating nickel (Ni) and platinum (Pt) as source/drain electrodes. Electrical characterization showed a threefold reduction in Pt contact resistance as compared to Ni. Correlative scanning transmission electron microscopy (STEM) and energy-dispersive X-ray spectroscopy (EDX) confirm that Pt diffuses toward the substrate without disrupting the PtSe₂ layers, whereas Ni induces severe top-layer degradation.

To investigate the impact of thickness on device performance, we gradually reduced the thickness of few-layer PtSe₂ in Transfer Length Method (TLM) structures with Pt/Au contacts. The films maintained continuous morphology and stable electrical behavior down to 1.5 nm, while further reduction led to increased surface roughness, void formation, and a notable rise in sheet and contact resistance.

These findings highlight the critical role of contact engineering and interface quality in preserving film integrity and optimizing device performance. Moreover, the results offer a scalable fabrication pathway for integrating PtSe₂ and related TMDs into high-performance electronic applications.

过渡金属二硫族化合物（TMDs）由于其独特的电学和结构特性，在下一代电子器件中具有重要的应用前景。然而，基于tmd的器件的性能受到金属-半导体触点性质的强烈影响。实现低电阻、稳定和高效的接触仍然是充分发挥TMD材料在实际应用中的潜力的关键挑战和关键因素。特别是二硒化铂（PtSe2）由于其可调谐的电子特性和可扩展合成的适用性而成为令人信服的候选者。先进的制造和精确的接触工程是最小化接口退化和最大化器件性能的关键。在本研究中，在c平面蓝宝石上合成了外延PtSe2层，为可扩展器件的制造提供了理想的平台。采用双阻发射技术结合单区硫化方法制备了ptse2基电子结构。通过对镍（Ni）和铂（Pt）作为源极/漏极的评价，重点进行了系统的接触工程研究。电学表征表明，与Ni相比，Pt的接触电阻降低了三倍。相关扫描透射电子显微镜（STEM）和能量色散x射线光谱（EDX）证实，Pt向衬底扩散而不破坏PtSe2层，而Ni则导致严重的顶层降解。为了研究厚度对器件性能的影响，我们在具有Pt/Au触点的TLM （Transfer Length Method）结构中逐渐减小了PtSe2的厚度。薄膜在1.5 nm以下保持了连续的形态和稳定的电学行为，而进一步减小导致表面粗糙度增加，空洞形成，片电阻和接触电阻显着上升。这些发现强调了接触工程和界面质量在保持薄膜完整性和优化器件性能方面的关键作用。此外，该结果为将PtSe2和相关TMDs集成到高性能电子应用中提供了可扩展的制造途径。

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引用次数: 0

Unveiling the multifactorial coupling effects on electronic properties and irradiation behavior of transition metal dichalcogenides MS2 (M = Mo, W, V) 揭示过渡金属二硫族化合物MS2 （M = Mo， W， V）电子性质和辐照行为的多因子耦合效应

IF 6.2 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-09-20 DOI: 10.1016/j.flatc.2025.100942

Ru-song Li , Ling-Jun Zheng , Kang Li , Jia-huan Zhang , Zheng Xie , Jin-tao Wang , Fei Wang

This study reveals the multifactorial impacts on the electronic properties and irradiation response of transition metal dichalcogenides (TMDs) MS₂ (M = Mo, W, V). Employing first-principles calculations, we unravel the intricate interplay between d-electron correlations, magnetic ordering, and van der Waals interactions. Our results highlight that these interactions significantly modulate the band structures and phase stability of TMDs, leading to phenomena such as metal-insulator transitions and bandgap engineering. Additionally, we explore the effects of neutron irradiation on TMDs, revealing defect-induced structural metastability and electronic phase transitions. This work not only enhances our understanding of TMDs but also paves the way for designing advanced electronic and spintronic devices with tailored properties.

本研究揭示了过渡金属二硫族化合物（TMDs） MS2 （M = Mo， W， V）的电子特性和辐照响应的多因素影响。采用第一性原理计算，我们揭示了d电子相关性，磁有序和范德华相互作用之间复杂的相互作用。我们的研究结果强调，这些相互作用显著地调节了tmd的能带结构和相稳定性，导致了金属-绝缘体跃迁和带隙工程等现象。此外，我们探讨了中子辐照对tmd的影响，揭示了缺陷诱导的结构亚稳态和电子相变。这项工作不仅提高了我们对tmd的理解，而且为设计具有定制特性的先进电子和自旋电子器件铺平了道路。

引用次数: 0

Phase engineering of MoS2 monolayers: A pathway to enhanced lithium-polysulfide battery performance 二硫化钼单层的相工程：提高锂-聚硫电池性能的途径

IF 6.2 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-09-17 DOI: 10.1016/j.flatc.2025.100938

J.W. González , E. Flórez , R.A. Gallardo , J.D. Correa

Phase engineering of MoS

_{2}

monolayers offers a promising strategy to enhance lithium-sulfur (Li–S) battery performance by tuning interfacial chemistry and redox dynamics. Using density functional theory calculations, we compare the semiconducting 2H and metallic 1T′ polymorphs as cathode host materials, analyzing their adsorption energetics, charge transfer, reaction barriers (via the nudged elastic band method), thermodynamic stability (via gas-phase and solvated models), and vibrational responses. We find that 1T′-MoS

_{2}

enables strong polysulfide anchoring and low delithiation barriers, while the reversible 2H

\leftrightarrow

1T′ transition provides a tunable balance between conductivity and structural integrity. These findings identify phase-engineered MoS

_{2}

architectures as robust, rate-capable platforms for suppressing the shuttle effect and guiding the design of high-performance Li–S battery cathodes.

二硫化钼单层的相工程通过调整界面化学和氧化还原动力学，为提高锂硫电池的性能提供了一种有前途的策略。利用密度泛函理论计算，我们比较了半导体2H和金属1T '多晶作为阴极主体材料，分析了它们的吸附能量、电荷转移、反应势垒（通过轻推弹性带方法）、热力学稳定性（通过气相和溶剂化模型）和振动响应。我们发现1T ‘ -MoS2能实现强多硫化物锚固和低分解障碍，而可逆的2H↔1T ’转变在电导率和结构完整性之间提供了可调的平衡。这些发现确定了相位工程MoS2架构是抑制穿梭效应和指导高性能Li-S电池阴极设计的强大的、具有速率能力的平台。

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引用次数: 0

Rational design of defect-engineered TMDs: Unlocking active sites for selective capture and catalysis in MoS2, MoSe2, and MoTe2 缺陷工程tmd的合理设计：解锁MoS2， MoSe2和MoTe2中选择性捕获和催化的活性位点

IF 6.2 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-09-16 DOI: 10.1016/j.flatc.2025.100939

Maciej J. Szary

Molybdenum-based transition-metal dichalcogenides (TMDs) are promising catalysts for key electro- and photochemical reactions, including CO₂ reduction (CRR), N₂ reduction (NRR), and hydrogen evolution (HER). However, their catalytic performance is inherently limited by the low reactivity of their basal planes, necessitating structural modifications to expose chemically active transition-metal sites. Here, we provide fundamental insights into chalcogen-vacancy engineering in Mo-based TMDs. Using large-scale density functional theory (DFT) computations, including NVT ab initio molecular dynamics (AIMD) and density functional perturbation theory (DFPT), we examine 400 adsorption cases across three TMD monolayers — MoS₂, MoSe₂, and MoTe₂ — considering both pristine and defective structures with three chalcogen-vacancy sizes, as well as six molecular species (N₂, O₂, NO, CO, CO₂, and NO₂). Our findings reveal that vacancy effects are highly selective, with adsorption enhancements varying significantly by molecular species. While larger vacancies generally strengthen adsorption across all TMDs, they also amplify intrinsic physicochemical differences. MoTe₂ exhibits the highest binding energies and molecular deformation, followed by MoSe₂ and MoS₂. Notably, vacancy-engineered TMDs demonstrate promising adsorption for N₂ and CO₂, with activation-to-binding ratios surpassing many conventional catalysts. By strategically selecting TMD compositions and tailoring vacancy sizes, adsorption strength and molecular activation can be finely optimized, leading to distinct thermodynamic favorability. Our results show defective MoS₂ favors CO₂ capture and activation for CRR but suppresses NRR and modestly limits HER, whereas MoTe₂ suppresses HER while promoting both NRR and CRR. These insights establish chalcogen selection as critical parameter in defect engineering, paving the way for rational design of advanced catalytic materials.

钼基过渡金属二硫化物（TMDs）在CO2还原（CRR）、N2还原（NRR）和析氢（HER）等关键电化学和光化学反应中具有广阔的应用前景。然而，它们的催化性能受到其基面低反应性的固有限制，需要进行结构修饰以暴露化学活性过渡金属位点。在这里，我们对钼基tmd中的硫空位工程提供了基本的见解。利用大规模密度泛函理论（DFT）计算，包括NVT从头算分子动力学（AIMD）和密度泛函微扰理论（DFPT），我们研究了三种TMD单层- MoS2， MoSe2和MoTe2 -考虑原始和缺陷结构的三种硫空位大小，以及六种分子种类（N2, O2， NO， CO， CO2和NO2）的400例吸附情况。我们的研究结果表明，空位效应具有高度选择性，吸附增强作用因分子种类而异。虽然较大的空位通常会加强所有tmd之间的吸附，但它们也会放大内在的物理化学差异。MoTe2的结合能和分子变形最高，其次是MoSe2和MoS2。值得注意的是，空位工程的tmd对N2和CO2的吸附效果很好，其活化与结合比超过了许多传统催化剂。通过有策略地选择TMD成分和调整空位大小，可以精细地优化吸附强度和分子活化，从而产生明显的热力学优势。我们的研究结果表明，有缺陷的MoS2有利于CO2捕获和激活CRR，但抑制NRR并适度限制HER，而MoTe2抑制HER，同时促进NRR和CRR。这些见解确立了作为缺陷工程关键参数的硫选择，为合理设计先进的催化材料铺平了道路。

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引用次数: 0

Recent advances in MXene-based materials for zinc-ion batteries 锌离子电池用mxene基材料的研究进展

IF 6.2 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-09-10 DOI: 10.1016/j.flatc.2025.100940

Yifei Wang , Yue Shi , Yuanyuan Yang , Ziyi Cheng , Hengbo Jia , Yaning Zhou , Le Li

Zinc-ion batteries (ZIBs), emerging as a novel power source, boast benefits like enhanced security, affordability, and eco-friendliness. The real-world use of ZIBs faces obstacles because of the narrow electrochemical stability range, the disintegration of active electrode substances, and inadequate growth and lifespan of zinc dendrites. Owing to their unique structural characteristics as well as physical and chemical properties, including excellent electrical conductivity, adjustable interlayer spaces, low-energy barriers, rich-surface functional groups (e.g., OH, O, Cl, and F), and ample chemical compositions, MXenes-based materials can solve the above-mentioned problems of ZIBs. The paper examines the latest advancements in research on MXenes-based substances (zero dimension, one dimension, two dimension, and three dimension) in ZIBs applications, including MXene-based materials anodes, cathodes, electrolyte, separator and current collectors. Furthermore, an in-depth exploration of the structural design and reaction processes of MXene-based substances in ZIBs is conducted. Lastly, a concise discussion is presented on the current difficulties and viewpoints regarding MXene-based substances for ZIBs.

锌离子电池（zib）作为一种新兴的能源，具有增强安全性、可负担性和环保性等优点。由于锌枝晶的生长和寿命不足，锌枝晶的电化学稳定范围窄、活性电极物质分解、锌枝晶的生长和寿命不足，锌枝晶在实际应用中面临着障碍。mxenes基材料具有优异的导电性、可调节的层间空间、低能垒、丰富的表面官能团（OH、O、Cl、F）和丰富的化学成分等独特的结构特征和物理化学性质，可以解决ZIBs的上述问题。本文综述了mxenes基材料（零维、一维、二维和三维）在ZIBs中的最新研究进展，包括mxenes基材料的阳极、阴极、电解质、分离器和集流器。进一步深入探讨了mxene基物质在ZIBs中的结构设计和反应过程。最后，简要讨论了目前锌锌材料中mxene基物质的难点和观点。

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引用次数: 0

Thickness- tuned band engineering for efficient photodetection in 2D CuInP2Se6 二维CuInP2Se6中高效光电探测的厚度调谐带工程

IF 6.2 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-09-06 DOI: 10.1016/j.flatc.2025.100930

Amutha Subramani , Borna Radatović , Jan Luxa , Filipa M. Oliveira , Kalyan Jyoti Sarkar , Chenrayan Senthil , Stefanos Mourdikoudis , David Sedmidubsky , Zdeněk Sofer

The combination of unique narrow bandgap electronic and optical properties, along with van der Waals surfaces in 2D materials, makes this class of materials highly promising for advancing photodetectors. In this study, we employ first-principles calculations to investigate the structural, electronic, and vibrational properties of the 2D CuInP₂Se₆ van der Waals material. Theoretical studies reveal phase-dependent properties in CuInP₂Se₆, including bulk paraelectric, bulk ferroelectric, and monolayer paraelectric phases. Notably, the material exhibits a tunable electronic band structure through phase transitions and layer thickness modulation. Among the explored phases, the paraelectric monolayer demonstrates a strong second harmonic generation response while also displaying lower thermal conductivity, making it suitable for nonlinear optical applications. The theoretically predicted optical properties were validated experimentally by synthesizing CuInP₂Se₆ using multi-step solid-state and chemical vapor transport reactions. A fabricated photodevice, configured as Au/CuInP₂Se₆/SiO₂ via standard optical lithography, exhibited UV–visible photodetection with a maximum photoresponsivity at 405 nm. Similarly, a modelled photodevice with the same configuration also demonstrated photodetection, attaining a maximum photoresponsivity at 405 nm. Furthermore, encapsulating silicene is expected to further modulate the electronic band structure and enhance photodetection performance, paving the way for future advancements in integrated UV–Vis-NIR optoelectronic devices. The significant improvement in photoconductive gain in the NIR range is attributed to an efficient charge transport pathway and interfacial encapsulation.

独特的窄带隙电子和光学特性的结合，以及二维材料中的范德华表面，使得这类材料在推进光电探测器方面非常有前途。在这项研究中，我们采用第一性原理计算来研究二维CuInP₂Se₆范德华斯材料的结构、电子和振动特性。理论研究揭示了金棉货号的相依赖性质，包括大块准电相、大块铁电相和单层准电相。值得注意的是，该材料通过相变和层厚调制表现出可调谐的电子带结构。在所探索的相中，准电单层显示出强烈的二次谐波产生响应，同时也显示出较低的导热性，使其适合非线性光学应用。通过多步固相和化学气相输运反应合成CuInP₂Se₆，验证了理论预测的光学性质。通过标准光学光刻技术制备了Au/CuInP₂Se₆/SiO₂结构的光器件，在405nm处表现出最大的光响应性。同样，具有相同配置的光电器件模型也证明了光检测，在405 nm处获得了最大的光响应性。此外，封装硅烯有望进一步调制电子能带结构并增强光探测性能，为未来集成UV-Vis-NIR光电器件的发展铺平道路。在近红外范围内光导增益的显著改善是由于有效的电荷传输途径和界面封装。

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引用次数: 0

Electrochemical determination of Diuron in Brazilian crops: f-MWCNT@Chi-AgNPs nanocomposite-modified screen-printed electrode for food safety monitoring 巴西作物中Diuron的电化学测定：f-MWCNT@Chi-AgNPs纳米复合材料修饰的丝网印刷电极用于食品安全监测

IF 6.2 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-09-05 DOI: 10.1016/j.flatc.2025.100929

Adriana C. da Silva , Thiago S. da Sena , Igor G.S. Oliveira , Fausto E. Bimbi Junior , Oswaldo C. Junior , Robson S. Souto , Michael M. Baruch , João P.P. Encide , Kathia M. Honorio , Marcos R.V. Lanza , Adriana E. de Carvalho , Willyam R.P. Barros

In this study, an inexpensive, easy-to-make screen-printed electrochemical (SPE) sensor was developed and applied for diuron (DIU) detection in Brazilian crops. The SPE was modified with a hybrid nanocomposite, which consisted of functionalized carbon nanotubes, chitosan and silver nanoparticles (f-MWCNT@Chi-AgNPs). The AgNPs were obtained through a simple and rapid green synthesis using lemon leaf extract as a reducing agent. The sensor exhibits irreversible electrochemical behavior with a diffusion-controlled response. The SPE-modified sensor when applied for DIU detection, was obtained a wide linear range (0.02–50.0 μM), a low LOD (0.005 μM), and a high sensitivity. Experimental variables, such as pH and scan rate were optimized, with pH 7.0 identified as the optimal medium. The modified SPE sensor demonstrated excellent selectivity against common interferents, operational stability, and no memory effect. The DFT analysis, from the M06-2X and B3LYP functionals, and the Def2-SVP basis set, reveals that the DIU molecule is a moderate electrophile. These data suggest the SPE/f-MWCNT@Chi-AgNPs are both highly reactive and stable for DIU oxidation. Its practical applicability was confirmed through the analysis of real samples (orange fruit, orange juice, tangerine, sugarcane and tomato), where recovery rates between 100.09 and 110.61 % were obtained, with RSD below 4.0 %. The combination of conductive materials with porous structure and sustainable synthesis yielded an efficient analytical platform. The proposed sensor can be employed as a viable, rapid and effective alternative tool for monitoring pesticide residues in complex matrices, with strong potential for application in environmental and food quality analysis.

在这项研究中，开发了一种廉价，易于制作的丝网印刷电化学（SPE）传感器，并将其应用于巴西作物中的diuron （DIU）检测。采用功能化碳纳米管、壳聚糖和纳米银组成的杂化纳米复合材料（f-MWCNT@Chi-AgNPs）对固相萃取进行了改性。以柠檬叶提取物为还原剂，通过简单快速的绿色合成得到了AgNPs。该传感器具有扩散控制响应的不可逆电化学行为。该传感器具有宽线性范围（0.02 ~ 50.0 μM）、低LOD （0.005 μM）和高灵敏度的特点。对pH、扫描速率等实验变量进行优化，确定pH 7.0为最优培养基。改进后的SPE传感器对常见干扰具有良好的选择性，工作稳定，无记忆效应。从M06-2X和B3LYP官能团以及Def2-SVP基集的DFT分析表明，DIU分子是一个中等亲电试剂。这些数据表明SPE/f-MWCNT@Chi-AgNPs对DIU的氧化具有高活性和稳定性。通过对橙果、橙汁、橘子、甘蔗、番茄等实际样品的分析，证实了该方法的实用性，回收率在100.09 ~ 110.61%之间，RSD < 4.0%。具有多孔结构的导电材料和可持续合成的结合产生了一个高效的分析平台。该传感器可作为一种可行、快速、有效的替代工具，用于复杂基质中农药残留的监测，在环境和食品质量分析中具有很强的应用潜力。

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引用次数: 0

Uniform formation of distinctive BaTiO3/PVA on TiO2 responsible for enhanced photocatalytic reduction in 4-nitrophenol 在TiO2上均匀形成独特的BaTiO3/PVA，增强了4-硝基苯酚的光催化还原

IF 6.2 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-09-04 DOI: 10.1016/j.flatc.2025.100927

Nisa Nashrah , Yujun Sheng , Min Jun Kim , Young Gun Ko

This study investigated the uniform deposition of BaTiO₃ (BTO) formed on TiO₂ layer to attain photocatalytic reduction of 4-nitrophenol. To this end, a two-step method consisting of plasma electrolysis in the alkaline electrolyte and spin coating in the BTO/polyvinyl alcohol (PVA) recipe where BTO appeared to be coordinated readily with PVA was proposed. Since PVA would played important roles in preventing the local agglomeration of BTO as polymeric capping agent as well as facilitating the stable attachment of BTO on porous TiO₂ layer as supporting platform, the BTO/PVA@TiO₂ catalyst would exhibit the excellent surface reactivity for catalytic reduction from 4-nitrophenol to 4-aminophenol, achieving the efficiency of 90 % in 10 min under the visible light irradiation. It is also found that the apparent rate constant of BTO/PVA@TiO₂ sample was higher by one-order than that of porous TiO₂ counterpart. This finding was attributed mainly to the improvement in photo-electrochemical behavior and charge transfer between active BTO particles and TiO₂.

本研究研究了在TiO2层上均匀沉积BaTiO3 （BTO）以达到光催化还原4-硝基苯酚的目的。为此，提出了一种在碱性电解液中进行等离子体电解和在BTO/聚乙烯醇（PVA）配方中进行自旋镀膜的两步法，其中BTO似乎很容易与PVA配合。由于PVA作为高分子封盖剂在防止BTO局部团聚和促进BTO稳定附着在多孔TiO2层上作为支撑平台等方面发挥了重要作用，因此BTO/PVA@TiO2催化剂具有优异的表面反应性，可催化4-硝基苯酚还原为4-氨基苯酚，在可见光照射下10 min内还原效率可达90%。BTO/PVA@TiO2样品的表观速率常数比多孔TiO2样品高一个数量级。这一发现主要归因于活性BTO颗粒与TiO2之间光电行为和电荷转移的改善。

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引用次数: 0

Charge-size synergistic screening of GO/PSBMA nanofiltration membranes: for dye desalination and anti-fouling mechanism studies 氧化石墨烯/PSBMA纳滤膜的电荷尺寸协同筛选：用于染料脱盐和防污机理研究

IF 6.2 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-09-03 DOI: 10.1016/j.flatc.2025.100928

Peng Kong, Zeshan Sun, Yibin Liang, Mingtai Xin, Haoxuan Zhang, Yu Song, Yanxin Wang, Jianguo Tang, Linjun Huang

A novel graphene oxide (GO)-based nanofiltration membrane was engineered to tackle the selective separation challenge of dyes and inorganic salts in salt-laden textile wastewater. Highly hydrophilic sulfobetaine methacrylate (SBMA) was covalently graft-polymerized onto GO surfaces to fabricate amphoteric polymer nanosheets (PSBMA@GO). Subsequent physical intercalation with pristine GO nanosheets yielded the GPM1:2 composite membrane. This strategy effectively enlarged the interlayer channels, endowing the membrane with a significantly enhanced permeability of 31.53 L·m⁻¹ h⁻¹ bar⁻¹, markedly surpassing that of the pristine GO membrane (12.26 L·m⁻¹ h⁻¹ bar⁻¹). The zwitterionic modification preserved the inherent negative charge of GO. The synergistic interplay between membrane surface charge regulation and precise pore size control achieved exceptional dye/salt separation selectivity. Dyes were selectively rejected via the Donnan exclusion effect, with rejection rates for Methylene Blue (MnB) and Congo Red (CR) exceeding 99.47 % and 98.7 %, respectively. Concurrently, efficient permeation of mono/divalent salt ions was facilitated (NaCl: 96.83 %; Na₂SO₄: 95.8 %). Furthermore, the zwitterionic polymer conferred exceptional anti-fouling properties, evidenced by a high flux recovery rate (FRR) of 89.15 % following bovine serum albumin (BSA) fouling. The FRR remained above 80 % even after a rigorous 10-h dynamic cycling test. This study establishes a novel paradigm for designing high-efficiency dye wastewater treatment membranes through the synergistic optimization of interfacial functionalization and structural modulation.

设计了一种新型氧化石墨烯（GO）纳滤膜，以解决含盐纺织废水中染料和无机盐的选择性分离问题。高度亲水性的甲基丙烯酸磺基甜菜碱（SBMA）被共价接枝到氧化石墨烯表面，以制备两性聚合物纳米片（PSBMA@GO）。随后用原始氧化石墨烯纳米片进行物理插层，得到了GPM1:2复合膜。该策略有效地扩大了层间通道，使膜的渗透率显著提高，达到31.53 L·m−1 h−1 bar−1，明显超过原始氧化石墨烯膜（12.26 L·m−1 h−1 bar−1）。两性离子修饰保留了氧化石墨烯固有的负电荷。膜表面电荷调节和精确的孔径控制之间的协同作用实现了优异的染料/盐分离选择性。对亚甲蓝（MnB）和刚果红（CR）的去除率分别超过99.47%和98.7%。同时，促进了单/二价盐离子的高效渗透（NaCl: 96.83%; Na₂SO₄：95.8%）。此外，两性离子聚合物具有优异的抗污染性能，在牛血清白蛋白（BSA）污染后的通量回收率（FRR）高达89.15%。即使经过严格的10小时动态循环测试，FRR仍保持在80%以上。本研究通过界面功能化和结构调节的协同优化，为设计高效染料废水处理膜建立了新的范式。

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引用次数: 0

Effect of poling in solar/visible light photocatalysis for binary dye degradation using 0.937(Bi0.5Na0.5)TiO3–0.063BaTiO3 0.937(Bi0.5Na0.5) TiO3-0.063BaTiO3光催化降解二元染料的极化效应

IF 6.2 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem

Pub Date : 2025-09-01 DOI: 10.1016/j.flatc.2025.100926

Abhishek Shukla, Vishal Singh Chauhan, Rahul Vaish

Solar light and visible light active 0.937((Bi_0.5Na_0.5)TiO₃)–0.063(BaTiO₃) (BNT-BT) was examined to investigate the effect of poling in photocatalysis for dye degradation efficacy. To verify the phase, vibrational modes, morphology, chemical composition and band gap of sample, X-ray diffraction (XRD), Raman spectroscopy and field emission scanning electron microscopy (FE-SEM), X-ray photoelectron spectroscopy (XPS) and DRS (diffuse reflectance spectroscopy) were utilized, respectively. In MB (Methylene Blue), RhB (Rhodamine B) and binary dye solution (MB + RhB; 50:50 volume) (10 mg/L) photocatalysis experiments were performed. Using poled sample, the degradation of MB dye was increased significantly to 72 % compared to unpoled sample (48 %). RhB dye degradation increased to 42 %, from 11 % in the poled sample. The poled BNT-BT sample showed enhanced dye degradation in the binary dye solution. The poled sample degraded 73 % MB and 62 % RhB individually, compared to 59 % MB, 23 % RhB in the unpoled sample. Under solar light, poled samples degraded binary dye efficiently (76 % MB, 78 % RhB individually) in 90 min. Next, poled samples were tested at initial binary dye concentrations of 10, 15, and 20 mg/L. Maximum rate constants observed at 10 mg/L (MB: 0.016, RhB: 0.0094 min⁻¹) and minimum at 20 mg/L (MB: 0.006, RhB: 0.0016 min⁻¹).

以太阳光和可见光活性0.937((Bi0.5Na0.5)TiO3) -0.063 (BaTiO3) （BNT-BT）为实验材料，考察极化光催化对染料降解效果的影响。为了验证样品的相位、振动模式、形貌、化学成分和带隙，分别利用x射线衍射（XRD）、拉曼光谱（Raman）和场发射扫描电镜（FE-SEM）、x射线光电子能谱（XPS）和漫反射光谱（DRS）进行了验证。在MB（亚甲基蓝）、RhB（罗丹明B）和二元染料溶液（MB + RhB； 50:50体积）（10 mg/L）中进行光催化实验。与未极化样品（48%）相比，极化样品对MB染料的降解率显著提高至72%。RhB染料降解率从极化样品的11%提高到42%。经极化后的BNT-BT样品在二元染料溶液中染料降解增强。极化样本分别降解了73%的MB和62%的RhB，而未极化样本分别降解了59%的MB和23%的RhB。在太阳光下，极化样品在90分钟内有效地降解了二元染料（分别为76% MB和78% RhB）。接下来，极化样品在初始二元染料浓度为10、15和20 mg/L时进行测试。最大速率常数为10mg /L (MB: 0.016, RhB: 0.0094 min - 1)，最小速率常数为20mg /L （MB: 0.006, RhB: 0.0016 min - 1）。

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