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Protic Ionic Liquid Additives Achieving Multifunctional Integration of Superior Lubricity, Corrosion Resistance, and Biodegradability 质子离子液体添加剂实现了优异的润滑性、耐腐蚀性和生物降解性的多功能集成
IF 3.5 Pub Date : 2025-07-07 DOI: 10.1021/acsaenm.5c00266
Qingchun Xu, Xiao Liu*, Pingxia Guo, Qiang Chen, Gang Liu* and Meirong Cai*, 

Three green amino acid-based ionic liquids (AAILs) were synthesized, and their tribological properties, corrosion inhibition capabilities, and biodegradability as water-based additives were systematically evaluated. The addition of 1 wt % of AAILs significantly enhanced the lubrication performance and corrosion resistance of water, of which triisopropanolamine-lauroyl glutamic acid (TIPA-LG) exhibited the most outstanding tribological properties. Compared to water, the coefficient of friction (COF) and wear volume (WV) of TIPA-LG were reduced by 68.5 and 95.5%, respectively. TIPA-LG can form a physical and chemical adsorption film and a friction chemical reaction film at the friction interface. The synergistic effect of these two lubrication films effectively reduces the direct contact between metal surfaces, thereby enhancing the friction-reducing and antiwear properties of the lubricant. Furthermore, TIPA-LG demonstrated excellent environmental compatibility, achieving a biodegradation rate of 80.89% within 28 days. These environmentally friendly, high-performance, water-based lubricant additives show promise in metal working applications.

合成了3种绿色氨基酸基离子液体(AAILs),并对其作为水基添加剂的摩擦学性能、缓蚀性能和生物降解性能进行了系统评价。添加1wt %的AAILs显著提高了材料的润滑性能和耐水腐蚀性能,其中三异丙醇胺-月桂酰谷氨酸(TIPA-LG)的摩擦学性能最为突出。与水相比,TIPA-LG的摩擦系数(COF)和磨损体积(WV)分别降低了68.5%和95.5%。TIPA-LG能在摩擦界面处形成物理化学吸附膜和摩擦化学反应膜。这两种润滑膜的协同作用有效地减少了金属表面之间的直接接触,从而增强了润滑剂的减摩抗磨性能。此外,TIPA-LG表现出良好的环境相容性,28天内生物降解率为80.89%。这些环保、高性能的水基润滑剂添加剂在金属加工应用中显示出前景。
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引用次数: 0
Design and Fabrication of Polyisocyanurate Foams toward Significantly Enhanced Thermal Resistivity 显著提高热阻率的聚异氰脲酸酯泡沫材料的设计与制备
IF 3.5 Pub Date : 2025-07-07 DOI: 10.1021/acsaenm.5c00263
Shiwanka V. Wanasinghe, Zoriana Demchuk, Achutha Tamraparni, Janak Tiwari, Tianli Feng, Catalin P. Gainaru, Bo Kyung Park, Sungjin Kim, Diana Hun, Tomonori Saito and Som S Shrestha*, 

Developing high-performance thermal insulation is vital for addressing the ongoing global demand for reduced energy costs. Polyisocyanurate (PIR) foams are commonly used in residential and commercial buildings and in various industrial applications owing to their relatively high thermal insulation properties and fire resistivity. This study aims to further improve the thermal resistivity of PIR foams by (1) incorporating low thermal conductivity blowing agents; (2) tailoring the anisotropy of their cells; (3) tuning polymeric isocyanate quantities; and (4) incorporating a facer barrier, while using steps that easily integrate into current manufacturing processes for PIR foams. The resulting PIR foams exhibit a significant enhancement in thermal resistivity, achieving initial values as high as 8.3 h·ft2·°F/Btu/in., commonly abbreviated as R-8.3/in., which is a 20% improvement compared with that of commercially used PIR foams that achieve approximately R-7/in. The detailed analysis of thermal conductivity measurements, mechanical testing, and morphological characterization elucidates the structure–property relationships. The developed high-performance PIR foams provide a critical pillar for next-generation high-performance insulation, offering promising thermal insulation for buildings and many other applications that have a significant effect on global energy costs.

开发高性能隔热材料对于解决当前全球对降低能源成本的需求至关重要。聚异氰脲酸酯(PIR)泡沫由于其相对较高的隔热性能和耐火性能,通常用于住宅和商业建筑以及各种工业应用。本研究旨在通过(1)加入低导热发泡剂进一步提高PIR泡沫的热阻率;(2)调整细胞的各向异性;(3)调整聚合异氰酸酯的数量;(4)结合表面屏障,同时使用易于集成到当前PIR泡沫制造工艺中的步骤。所得的PIR泡沫的热电阻率显著提高,初始值高达8.3 h·ft2·°F/Btu/in。,通常缩写为R-8.3/in。,与商用PIR泡沫的R-7/in相比,提高了20%。热导率测量、力学测试和形态表征的详细分析阐明了结构-性能关系。开发的高性能PIR泡沫为下一代高性能隔热材料提供了关键支柱,为建筑物和许多其他对全球能源成本有重大影响的应用提供了有前途的隔热材料。
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引用次数: 0
Bioactive Biphasic Calcium Phosphate–Egg White–Nanosilica–Gelatin Composites Promote Osteogenic Differentiation and Bone Regeneration via Synergistic Mechanisms: An Integrated Structural, Mechanical, and Computational Study 生物活性双相磷酸钙-蛋清-纳米硅-明胶复合材料通过协同机制促进成骨分化和骨再生:一项综合结构、力学和计算研究
IF 3.5 Pub Date : 2025-07-04 DOI: 10.1021/acsaenm.5c00423
Edwina Sherley Felicita A*, Aisha Tufail, Veni Subramanyam S, Marie Arockianathan P and Amit Dubey*, 

The design of bioactive, biocompatible scaffolds with enhanced osteogenic potential is critical for advancing bone tissue regeneration strategies. In this study, five innovative composite scaffolds were formulated using biphasic calcium phosphate (BCP), egg white (EW), nanosilica (Si), and fish-derived gelatin (G), and evaluated for their mechanical, physicochemical, and biological performance. The optimized BESG composite (BCP + EW + Si + G) exhibited a compressive strength of 4.51 ± 0.13 MPa, a porosity of 66.4 ± 1.29%, and an enhanced apatite-forming ability in simulated body fluid, confirming its structural integrity and bioactivity. FTIR and XRD analyses confirmed the successful integration of organic and inorganic components without compromising phase purity. SEM and TEM revealed an interconnected porous network suitable for cellular infiltration. Biological assessments using rat bone marrow progenitor stem cells demonstrated that BESG significantly improved cell viability (p< 0.001) and promoted osteogenic differentiation, as indicated by increased alkaline phosphatase activity (3.9 ± 0.22 IU/mg) and mineralization in ARS assays. Fluorescent staining confirmed the formation of dense extracellular matrix and high viability. In silico studies further validated the scaffold’s bioactivity; DFT calculations indicated a low HOMO–LUMO energy gap (0.11 eV), suggesting favorable electronic stability. Molecular docking and 100 ns MD simulations revealed strong binding affinities of BESG components with BMP-7 and ALP (binding energies: –10.9 and −9.3 kcal/mol, respectively), supported by stable RMSD and compact Rg values. ADMET analysis predicted excellent biocompatibility and low toxicity. This work introduces a sustainable BESG scaffold synthesized exclusively from biowaste-derived sources, integrating BCP, egg white, nanosilica, and gelatin. The in vitro and in silico synergy underscores its promise for sustainable and clinically translatable bone regeneration.

设计具有增强成骨潜能的生物活性、生物相容性支架对于推进骨组织再生策略至关重要。本研究采用双相磷酸钙(BCP)、蛋清(EW)、纳米二氧化硅(Si)和鱼源明胶(G)配制了5种新型复合支架,并对其力学、理化和生物学性能进行了评价。优化后的BESG复合材料(BCP + EW + Si + G)抗压强度为4.51±0.13 MPa,孔隙率为66.4±1.29%,在模拟体液中磷灰石形成能力增强,证实了其结构完整性和生物活性。FTIR和XRD分析证实了有机和无机成分的成功整合,而不影响相纯度。扫描电镜(SEM)和透射电镜(TEM)显示了一个适合细胞渗透的相互连接的多孔网络。使用大鼠骨髓祖干细胞进行的生物学评估表明,BESG显著提高了细胞活力(p<;在ARS试验中,碱性磷酸酶活性(3.9±0.22 IU/mg)和矿化水平均有所提高,从而促进成骨分化。荧光染色证实细胞外基质形成致密,细胞活力高。计算机研究进一步验证了支架的生物活性;DFT计算表明HOMO-LUMO能隙较低(0.11 eV),表明具有良好的电子稳定性。分子对接和100 ns MD模拟表明,BESG组分与BMP-7和ALP具有较强的结合亲和力(结合能分别为-10.9和- 9.3 kcal/mol), RMSD稳定,Rg紧凑。ADMET分析预测具有良好的生物相容性和低毒性。这项工作介绍了一种可持续的BESG支架,完全由生物废物来源合成,整合了BCP,蛋清,纳米二氧化硅和明胶。体外和硅协同强调了其可持续和临床可翻译骨再生的承诺。
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引用次数: 0
Tri-s-triazine-Based Porous Organic Polymer for Adsorptive Desulfurization of Model Fuel with Turn-Off Fluorescence Application 基于三-s-三嗪的多孔有机聚合物在模型燃料吸附脱硫中的关闭荧光应用
IF 3.5 Pub Date : 2025-07-03 DOI: 10.1021/acsaenm.5c00203
M Christina Nilavu, Himanshu Aggarwal* and N Rajesh*, 

Diverse functionalization with high surface area and availability of hetero atoms of porous organic polymers (POPs) makes them a promising material for environmental remediation. A tri-s-triazine-based porous organic polymer was synthesized with a high specific surface area of 258.95 m2 g–1 and investigated for adsorptive desulfurization of model fuel (dibenzothiophene in n-hexane). The triazine-based POP showed a maximum adsorption capacity of 147.22 mg g–1 for DBT at room temperature for isotherm studies of concentrations from 50 to 1500 mg L–1 DBT with a 20 mL volume and 0.1 g of POP adsorbent without oxidation or external functionalization. The POP was thoroughly characterized using techniques such as FTIR, XRD, XPS, 13C NMR, TGA, BET-N2 and FESEM-EDS analyses. The mechanistic features of the adsorptive desulfurization process were corroborated by isotherm, kinetic, and thermodynamic models that affirmed that the reaction is exothermic and spontaneous following pseudo-second-order kinetics fitting with the Langmuir isotherm. The material was reusable for up to five cycles of adsorption and desorption. Along with removal, the POP material exhibited an excellent fluorescent property that was turned off by the addition of the DBT compound. Therefore, the as-synthesized POP could be a promising adsorbent for desulfurization along with sensing application.

多孔有机聚合物(POPs)具有多种功能化、高表面积和杂原子可用性,是一种很有前景的环境修复材料。合成了一种具有258.95 m2 g-1高比表面积的三-s-三嗪基多孔有机聚合物,并对模型燃料(正己烷二苯并噻吩)吸附脱硫进行了研究。三嗪基POP在室温下对DBT的最大吸附量为147.22 mg g - 1,体积为20 mL,吸附剂为0.1 g, DBT的浓度为50 ~ 1500 mg L-1,无氧化或外部功能化。采用FTIR、XRD、XPS、13C NMR、TGA、BET-N2和FESEM-EDS等技术对POP进行了全面表征。等温线、动力学模型和热力学模型证实了吸附脱硫过程的机理特征,证实了该反应符合Langmuir等温线的准二级动力学,为放热自发反应。该材料可重复使用多达五次的吸附和解吸循环。随着去除,POP材料表现出优异的荧光特性,而添加DBT化合物则关闭了该特性。因此,合成的POP是一种很有前途的脱硫和传感吸附剂。
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引用次数: 0
Self-Decontaminating Photocatalytic Textiles: Layer-by-Layer Deposition of Commercial TiO2 References for DMMP Degradation 自净化光催化纺织品:用于DMMP降解的商业TiO2参考物的逐层沉积
IF 3.5 Pub Date : 2025-07-02 DOI: 10.1021/acsaenm.5c00200
Maël Morguen, Alain Rach, Christophe Colbeau-Justin, Didier Robert and Valérie Keller*, 

Protection against chemical warfare agents (CWA) needs to be improved, and the addition of self-decontaminating properties to passive protective clothes is a promising tool to avoid (cross-)contamination issues. The purpose of this work was to investigate the layer-by-layer (LbL) deposition of photocatalytically active TiO2 nanoparticles over textiles for providing additional organophosphorus degradation properties. Here, it is shown how to control the homogeneous and efficient coverage of textile fibers by finding the optimal conditions of the LbL deposition parameters. Then, various commercial TiO2 references (P25, P90, UV100, PC500, Anatase nanopowder, and Rutile nanopowder from Sigma) differing in their structural, surface, and morphological properties were examined. The resulting functionalized textiles were assessed and compared toward dimethyl methylphosphonate droplets (DMMP, used as an analogue for neurotoxic CWA) photocatalytic degradation under artificial UV irradiation. Preparation/structure/activity correlation of the resulting functionalized textiles highlighted the crucial impact of (i) the surface charges and particle size of TiO2 in the precursor suspension during LbL deposition and (ii) the charge carrier generation and dynamics under UV-A activation (studied by time-resolved microwave conductivity measurements). Finally, we investigated the mechanisms of DMMP degradation over TiO2-functionalized textiles through DMMP elimination kinetics monitoring and X-ray photoelectron spectroscopy and FTIR studies.

对化学战剂(CWA)的防护需要改进,在被动防护服上添加自去污特性是避免(交叉)污染问题的一种有前途的工具。这项工作的目的是研究光催化活性TiO2纳米颗粒在纺织品上的逐层沉积(LbL),以提供额外的有机磷降解性能。本文介绍了如何通过寻找LbL沉积参数的最佳条件来控制纺织纤维的均匀和有效覆盖。然后,研究了不同的商业TiO2参考物(P25、P90、UV100、PC500、锐钛矿纳米粉和Sigma的金红石纳米粉)在结构、表面和形态上的不同。在人工紫外线照射下,评估并比较了甲基膦酸二甲酯液滴(DMMP,用作神经毒性CWA的类似物)的光催化降解能力。所得到的功能化纺织品的制备/结构/活性相关性突出了(i) LbL沉积过程中前驱体悬浮液中TiO2的表面电荷和粒径以及(ii) UV-A活化下载流子的产生和动力学(通过时间分辨微波电导率测量研究)的关键影响。最后,我们通过DMMP消除动力学监测、x射线光电子能谱和FTIR研究探讨了DMMP在tio2功能化纺织品上的降解机制。
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引用次数: 0
Harnessing Biofilm-Mediated Plastic Biodegradation: Innovating Smart Material Design 利用生物膜介导的塑料生物降解:创新智能材料设计。
IF 3.5 Pub Date : 2025-07-02 DOI: 10.1021/acsaenm.5c00179
Kaitlyn Benes, Madison Liguori, Cody J. Velikaneye, Sarah Kispert, Alexis Pishnyuk, Eddie Luzik, Hao Sun, Dequan Xiao and Huan Gu*, 

The persistent environmental challenges posed by synthetic plastics, particularly petroleum-derived petropolymers, such as polyethylene (PE), polypropylene (PP), and polystyrene (PS), have intensified the need for innovative recycling methods. Traditional recycling techniques often rely on harsh conditions, raising environmental and economic concerns. Biofilm-mediated biodegradation has emerged as a promising alternative, operating under mild conditions such as room temperature, neutral pH, and atmospheric pressure. However, the interactions between biofilm-forming microorganisms and synthetic plastics and the roles of secreted enzymes in these processes remain incompletely understood. This review explores the current understanding of biofilm-mediated biodegradation─biodeterioration, biofragmentation, bioassimilation, and mineralization─and the biochemical and physical interactions that control these processes. We highlight the latest findings on the enhancement of petropolymer degradation by biofilms, focusing on the roles of oxidative and attachment enzymes and the environmental factors influencing degradation efficiency. Understanding these complex interactions can inform the design of next-generation enzyme-responsive polymers that are not only easier to degrade but can also serve as smart materials for diverse applications, such as antifouling coatings on metals. This perspective bridges critical knowledge gaps and provides insights into harnessing biofilm-mediated processes for sustainable material innovation.

合成塑料带来了持续的环境挑战,特别是石油衍生的石油聚合物,如聚乙烯(PE)、聚丙烯(PP)和聚苯乙烯(PS),这加强了对创新回收方法的需求。传统的回收技术往往依赖于恶劣的条件,引起了环境和经济方面的担忧。生物膜介导的生物降解已成为一种很有前途的替代方法,可以在室温、中性pH值和大气压等温和条件下进行。然而,生物膜形成微生物与合成塑料之间的相互作用以及分泌酶在这些过程中的作用仍然不完全清楚。这篇综述探讨了目前对生物膜介导的生物降解生物降解、生物破碎、生物同化和矿化以及控制这些过程的生化和物理相互作用的理解。重点介绍了生物膜促进石油聚合物降解的最新研究成果,重点介绍了氧化酶和附着酶的作用以及影响降解效率的环境因素。了解这些复杂的相互作用可以为下一代酶反应聚合物的设计提供信息,这些聚合物不仅更容易降解,而且还可以作为各种应用的智能材料,例如金属防污涂层。这一观点弥合了关键的知识差距,并为利用生物膜介导的过程进行可持续材料创新提供了见解。
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引用次数: 0
Enhancing Tensile Strength, Hydrophobicity, and Flame Retardancy of Epoxy Resin: π–π Stacking and Hydrogen Bonds, Fluorine, and Phosphorus–Fluorine Synergy 提高环氧树脂的抗拉强度、疏水性和阻燃性:π -π堆叠和氢键、氟和磷氟协同作用
IF 3.5 Pub Date : 2025-07-02 DOI: 10.1021/acsaenm.5c00345
Baotao Huang, Shenghao Ai, Jiji Tan, Beifeng Zhou, Yi Pan, Zhaohui Zheng, Xiaobin Ding* and Jinni Deng*, 

Development of epoxy resins with multiple properties, such as high tensile strength, transparency, hydrophobicity, and flame retardancy, presents a significant challenge. In this study, three phosphorus–fluorine additives (F1, F4, and F6) were synthesized via a single-step Kabachnik–Fields reaction. The additive F1 confers hydrophobicity and flame retardancy upon bisphenol A type epoxy resin (DGEBA) through fluorine and phosphorus–fluorine synergy while preserving its transparency. Besides, increased tensile strength of F110%/EP is attributed to the formation of more π–π stacking and hydrogen bonds. When 10 wt % of F1 (with a theoretical phosphorus content of 0.64 wt %) is incorporated into the DGEBA system, the yielding product of F110%/EP, which achieves a V-0 rating in the UL-94 test and exhibits a high limiting oxygen index of 35%, attributing to the presence of both phosphorus and fluorine. During combustion, the peak heat release value and carbon monoxide production of F110%/EP are reduced by 54.1 and 18.5%, respectively, and the amounts of carbon residue and graphitic carbon are significantly increased compared to neat epoxy resin. The mechanism reveals that trifluoromethyl radical (·CF3) and phosphorus free radicals (PO· and PO2·) generated during F1 combustion contribute to gas-phase interactions, while the resulting phosphoric acid and polyphosphate facilitate carbonization of the epoxy resin. The EP composites can still maintain its flame-retardant and hydrophobic properties at 85 °C. Those findings of this study offer valuable insights for the development of multifunctional epoxy resin additives, which can enhance tensile strength, durable hydrophobicity, and flame retardancy.

开发具有多种性能的环氧树脂,如高抗拉强度、透明度、疏水性和阻燃性,提出了一个重大挑战。本研究通过单步卡巴尼克场反应合成了三种磷氟添加剂(F1、F4和F6)。添加剂F1通过氟和磷氟协同作用使双酚A型环氧树脂(DGEBA)具有疏水性和阻燃性,同时保持其透明度。此外,F110%/EP的抗拉强度的提高是由于形成了更多的π -π堆积和氢键。当10 wt %的F1(理论含磷量为0.64 wt %)加入到DGEBA体系中时,产产物F110%/EP,在UL-94测试中达到V-0等级,并表现出35%的高极限氧指数,这是由于磷和氟的存在。燃烧过程中,F110%/EP的峰值放热值和一氧化碳产生量分别比纯环氧树脂降低了54.1和18.5%,残碳量和石墨碳量明显增加。机理表明,F1燃烧过程中产生的三氟甲基自由基(·CF3)和磷自由基(PO·和PO2·)促进了气相相互作用,而产生的磷酸和聚磷酸盐促进了环氧树脂的炭化。EP复合材料在85℃时仍能保持其阻燃和疏水性能。这些研究结果为开发具有增强拉伸强度、持久疏水性和阻燃性能的多功能环氧树脂添加剂提供了有价值的见解。
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引用次数: 0
Recycling of Airbags Using Hydrothermal Treatment and Characterization of the Separated PA66 水热法回收安全气囊及分离后PA66的表征
IF 3.5 Pub Date : 2025-07-01 DOI: 10.1021/acsaenm.5c00232
Yusuke Ikeuchi, Mei Matsumura, Katsuya Ito and Jun Inagaki*, 

Composite material products made of two or more materials are widely used worldwide. However, recycling these materials is not widespread as separating the individual components is challenging. Therefore, a technology to effectively separate materials is essential to enhance recycling rates and establish a sustainable recycling industry. In this study, we aimed to separate common polymer materials from the multimaterial products using an eco-friendly hydrothermal technique that utilizes only water, leveraging the melting point depression of polymers in water. For instance, airbags as multimaterial products are commonly installed as safety devices in automobiles. Most airbags are typically composed of a polyamide 66 (PA66) base fabric coated with silicone to improve airtightness. As it is challenging to separate PA66 and silicone, most airbags are currently being discarded. This study revealed that PA66 could be separated by treating the airbags at temperatures exceeding 200 °C. Additionally, the separated PA66 retained its melting point, indicating that it could be separated without decomposing into monomers─unlike common chemical recycling methods. These findings suggest possibilities for mechanical recycling, using the difference in melting points to separate the individual components in their polymeric state from various combinations of composites.

由两种或两种以上材料制成的复合材料产品在世界范围内得到了广泛的应用。然而,回收这些材料并不普遍,因为分离单个组件是具有挑战性的。因此,有效分离材料的技术对于提高回收率和建立可持续的回收产业至关重要。在本研究中,我们的目标是使用仅利用水的生态友好型水热技术,利用聚合物在水中的熔点降低,从多材料产品中分离出常见的聚合物材料。例如,安全气囊作为多材料产品,通常作为安全装置安装在汽车上。大多数安全气囊通常由涂有有机硅的聚酰胺66 (PA66)基织物组成,以提高气密性。由于很难将PA66和硅胶分开,目前大多数安全气囊都被丢弃了。该研究表明,在超过200℃的温度下处理安全气囊可以分离PA66。此外,分离后的PA66保持了熔点,这表明它可以在不分解成单体的情况下分离,这与常见的化学回收方法不同。这些发现表明了机械回收的可能性,利用熔点的差异将处于聚合状态的单个组分从各种复合材料的组合中分离出来。
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引用次数: 0
One-Pot Sequence Synthesis of a Silsesquioxane-Based Network via “Amine-ene” and “Thiol–ene” Reactions for Efficient Gold(III) Recovery 通过“胺-烯”和“硫-烯”反应一锅序列合成银倍半氧烷网络以高效回收金(III)
IF 3.5 Pub Date : 2025-07-01 DOI: 10.1021/acsaenm.5c00216
Xiaohan Zhao, Qian Ge and Hongzhi Liu*, 

Currently, it is imperative to develop highly efficient adsorbents using straightforward and gentle techniques for gold recycling from e-waste in order to achieve resource reutilization. Herein, a cross-linked silsesquioxane-based network (PCS-SNO), containing abundant N, O, and S atoms, was designed and synthesized through a simple one-pot sequence synthesis strategy, i.e., first using the “amine-ene” reaction of triaminoethylamine (TAA) with excessive dipentaerythritol penta-/hexa-acrylate (DP/HA) and then using the “thiol–ene” reaction of octamercaptopropylsilsesquioxane (SQ-SH8) with the remaining acrylate group of DP/HA. The hybrid network is fully characterized using FTIR, 13C, and 29Si NMR spectra, XRD, TGA, and BET. PCS-SNO shows a high adsorption capacity of 2152 mg g–1 and a good selectivity for gold entrapment. The adsorption process conforms to the Langmuir model (R2 = 0.965), and the pseudo-second-order model fits with adsorption kinetics (R2 = 0.977). Notably, PCS-SNO exhibited a pronounced efficacy in the removal of gold ions at low concentrations (from 12 mg L–1 to 0.1 mg L–1), indicating its superior suitability for efficient capture of gold from e-waste. The remarkable adsorption effect can be ascribed to the intricate coordination, redox, and electrostatic interactions of gold ions with PCS-SNO. Moreover, PCS-SNO shows a good selectivity toward gold ions from the e-waste leaching solution. The result indicates that the simple one-pot sequence synthesis strategy is feasible for the preparation of highly efficient hybrid adsorbents containing multiheteroatoms; moreover, the PCS-SNO demonstrates the outstanding entrapment of gold, both at low concentrations and in practical CPU treatment, and is expected to be applied in industrial production.

目前,开发高效吸附剂,利用简单、温和的技术从电子垃圾中回收黄金,以实现资源再利用是当务之急。本文设计并合成了一个含有丰富N、O和S原子的交联硅氧烷网络(PCS-SNO),采用简单的一锅顺序合成策略,即先用三胺乙胺(TAA)与过量的二季戊四醇五/六丙烯酸酯(DP/HA)进行“胺-烯”反应,然后用八巯基甲氧基硅氧烷(q - sh8)与DP/HA的剩余丙烯酸基进行“巯基”反应。利用FTIR、13C和29Si核磁共振光谱、XRD、TGA和BET对混合网络进行了全面表征。PCS-SNO吸附量为2152 mg g-1,对金有较好的选择性。吸附过程符合Langmuir模型(R2 = 0.965),拟二阶模型符合吸附动力学(R2 = 0.977)。值得注意的是,PCS-SNO在低浓度(从12 mg L-1到0.1 mg L-1)下表现出显著的去除金离子的效果,表明其在有效捕获电子垃圾中的金方面具有优越的适用性。这种显著的吸附效果可归因于金离子与PCS-SNO之间复杂的配位、氧化还原和静电相互作用。此外,PCS-SNO对电子垃圾浸出液中的金离子表现出良好的选择性。结果表明,简单的一锅顺序合成策略对于制备高效的多杂原子杂化吸附剂是可行的;此外,PCS-SNO在低浓度和实际CPU处理中都表现出出色的金捕获能力,有望在工业生产中应用。
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引用次数: 0
Exploring the Electronic Structure and Interfacial Phenomena of Pseudomorphic Rutile(110) Heterostructures: An Ab Initio Study 伪晶金红石异质结构的电子结构和界面现象研究(110)
IF 3.5 Pub Date : 2025-06-30 DOI: 10.1021/acsaenm.5c00313
S. Muthukrishnan, R. Vidya* and Anja Olafsen Sjåstad, 

The photocatalytic application of pure TiO2 is limited because of its wide band gap, which restricts its activity only in the UV (ultraviolet) region of the solar spectrum. The high recombination of electron and hole charge carriers is another drawback to photocatalytic activity. In this work, we explore the electronic interfacial characteristics of pseudomorphic rutile(110) heterostructures, such as SnO2/TiO2, NbO2/TiO2, and MnO2/TiO2, using density functional theory (DFT)-based computations. The nature of the electronic structure and the band alignment are studied, which helps to identify the heterostructure. The internal electric field created at the interface of the heterostructure is crucial for defining the flow of electron and hole charge carriers, which is understood by the charge density difference plots. The enhancement of optical absorption of the heterostructure toward the visible region of the solar spectrum is further confirmed. From our analysis, we conclude that the nature of the electronic structure and band alignment of the rutile heterostructure are explored. Here, SnO2/TiO2 shows a type II heterostructure, MnO2/TiO2 shows a type I heterostructure, and NbO2/TiO2 shows a metal–semiconductor interface. From the heterostructure model, we proved that the band gap can be reduced toward the visible light absorption, and also, the electron and hole recombination can be avoided by generating the internal electric field along the interface of the heterostructure. From our analysis, we conclude that the pseudomorphic rutile(110) heterostructure will act as a potential photocatalyst for environmental pollution reduction.

纯TiO2的带隙较宽,限制了其活性仅在太阳光谱的紫外(UV)区,限制了其光催化应用。电子和空穴载流子的高复合是光催化活性的另一个缺点。在这项工作中,我们利用基于密度泛函理论(DFT)的计算,探索了伪晶金红石(110)异质结构,如SnO2/TiO2, NbO2/TiO2和MnO2/TiO2的电子界面特征。研究了电子结构的性质和带向,有助于异质结构的识别。在异质结构界面处产生的内部电场对于定义电子和空穴载流子的流动至关重要,这可以通过电荷密度差图来理解。进一步证实了异质结构对太阳光谱可见区的光吸收增强。从我们的分析中,我们得出结论,探讨了金红石异质结构的电子结构和能带取向的性质。其中,SnO2/TiO2为II型异质结构,MnO2/TiO2为I型异质结构,NbO2/TiO2为金属-半导体界面。从异质结构模型出发,我们证明了沿异质结构界面产生内部电场可以减小带隙,避免电子和空穴的复合。从我们的分析中,我们得出结论,伪晶金红石(110)异质结构将作为一种潜在的光催化剂来减少环境污染。
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引用次数: 0
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