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Comprehensive analysis of alkaline earth metal ion removal from biodiesel using amino polycarboxylate chelating agents: Performance and mechanistic insights 氨基聚羧酸螯合剂去除生物柴油中碱土金属离子的综合分析:性能和机理
IF 6.2 4区 工程技术 Q3 ENERGY & FUELS Pub Date : 2025-07-28 DOI: 10.1007/s11708-025-1032-2
Rongyan Li, Xinru Han, Fashe Li, Shuang Wang, Meng Sui, Jing Yang

The presence of alkaline earth metal ions in biodiesel can exacerbate engine wear, impair fuel oxidation stability, and substantially reduce combustion efficiency. Improving the quality of biodiesel is therefore crucial for promoting its adoption as a viable alternative to conventional fossil fuels. This study investigates the removal of alkaline earth metal calcium (Ca2+) and magnesium (Mg2+) from Jatropha biodiesel using four amino polycarboxylate chelating agents: ethylenediaminetetraacetic acid (EDTA), diethylenetriaminepentaacetic acid (DTPA), 1,2-cyclohexanediaminetetraacetic acid (CDTA), and N-(2-hydroxyethyl)-ethylenediaminetriacetic acid (HEDTA). The results showed that CDTA demonstrated the highest removal efficiency and selectivity for Ca2+ and Mg2+ among the four chelating agents, resulting in removal rates of 98.6% and 94.3%, respectively. Furthermore, the oxidative stability of biodiesel, measured as induction period, increased from 3.38 to 8.31 h after treatment with EDTA solution and reached a maximum of 8.68 h after treatment with CDTA. Density functional theory (DFT) calculations were performed to analyze Mulliken charges, electrostatic potential, frontier molecular orbitals, and interaction energies. The results indicate that the four chelating agents form cyclic structure complexes by simultaneously coordinating with a metal ion through multiple coordination atoms (N atom in amino group and O atom in carboxyl group). CDTA has the strongest interaction energies with Ca2+ and Mg2+, calculated at −826 and −915 kcal/mol, respectively, corroborating its superior chelation performance.

生物柴油中碱土金属离子的存在会加剧发动机的磨损,损害燃料的氧化稳定性,大大降低燃烧效率。因此,提高生物柴油的质量对于促进其成为传统化石燃料的可行替代品至关重要。研究了四种氨基聚羧酸螯合剂:乙二胺四乙酸(EDTA)、二乙烯三胺五乙酸(DTPA)、1,2-环己二胺四乙酸(CDTA)和N-(2-羟乙基)-乙二胺三乙酸(HEDTA)对麻风树生物柴油中碱土金属钙(Ca2+)和镁(Mg2+)的去除效果。结果表明,CDTA对Ca2+和Mg2+的去除率最高,选择性最高,去除率分别为98.6%和94.3%。EDTA溶液处理后,生物柴油的氧化稳定性从3.38 h提高到8.31 h, CDTA处理后达到最大值8.68 h。用密度泛函理论(DFT)分析了Mulliken电荷、静电势、前沿分子轨道和相互作用能。结果表明,四种螯合剂通过多个配位原子(氨基上的N原子和羧基上的O原子)与金属离子同时配位,形成环状结构配合物。CDTA与Ca2+和Mg2+的相互作用能最强,分别为- 826和- 915 kcal/mol,证实了其良好的螯合性能。
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引用次数: 0
Potential impacts of ammonia/hydrogen on engine lubricants: A review 氨/氢对发动机润滑油的潜在影响综述
IF 6.2 4区 工程技术 Q3 ENERGY & FUELS Pub Date : 2025-07-26 DOI: 10.1007/s11708-025-1031-3
Carole Doncoeur, Lucia Giarracca-Mehl, Perrine Cologon, Christine Mounaïm-Rousselle

As intrinsically carbon-free molecules, ammonia and hydrogen are considered as fuels for internal combustion engines, mainly for long-distance or off-road applications. These alternative fuels have different combustion characteristics, reactivity, and exhaust gas compositions compared to conventional fuels, raising questions about the suitability of lubricants in engines operating with them. The impact of ammonia, hydrogen, and their blends on lubricants in internal combustion engines is a relatively new topic, with few reference studies available. However, degradation processes of lubricants have been studied in the context of hydrocarbon fuels, and in compressors using ammonia as a refrigerant, for example. This work presents a review of the literature on engine oil degradation phenomena in relation to ammonia and hydrogen combustion characteristics. In particular, it highlights the current state of knowledge regarding compatibility with unburnt gases, elevated nitrogen oxide levels, and water. Additionally, it summarizes the latest insights into the contribution of lubricants to pollutant emissions.

作为本质上不含碳的分子,氨和氢被认为是内燃机的燃料,主要用于长途或越野应用。与传统燃料相比,这些替代燃料具有不同的燃烧特性、反应性和废气成分,这引发了发动机润滑油适用性的问题。氨、氢及其混合物对内燃机润滑油的影响是一个相对较新的课题,参考研究很少。然而,润滑剂的降解过程已经在碳氢化合物燃料的背景下进行了研究,例如在使用氨作为制冷剂的压缩机中。本文综述了与氨和氢燃烧特性有关的机油降解现象的文献。特别是,它强调了目前对未燃烧气体、高氮氧化物水平和水的相容性的认识。此外,它总结了润滑油对污染物排放的贡献的最新见解。
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引用次数: 0
Numerical study of a parabolic-trough CPV-T collector with spectral-splitting liquid filters 带分光液体滤光片的抛物槽CPV-T集热器的数值研究
IF 6.2 4区 工程技术 Q3 ENERGY & FUELS Pub Date : 2025-07-25 DOI: 10.1007/s11708-025-1028-y
Chandan Pandey, Mingyang Wu, Adelani Oyeniran, Sandesh S. Chougule, Ivan Acosta Pazmiño, Carlos I. Rivera-Solorio, Miguel Gijón-Rivera, Christos N. Markides

Conventional flat-plate photovoltaic-thermal (PV-T) collectors generate electricity and heat simultaneously; however, the outlet temperature of the latter is typically below 60 °C, limiting their widespread application. The use of optical concentration can enable higher-temperature heat to be generated, but this can also lead to a rise in the operating temperature of the PV cells in the collector and, in turn, to a deterioration in their electrical performance. To overcome this challenge, an optical spectral-splitting filter that absorbs the infrared and transmits the visible portion of the solar spectrum can be used, such that wavelengths below the bandgap are sent to the cells for electricity generation, while those above it are sent to a thermally decoupled absorber for the generation of heat at a temperature that is considerably higher than that of the cells. In this study, a triangular primary PV-T channel, wherein the primary heat transfer fluid (water) flows, is integrated into a parabolic trough concentrator of geometrical concentration ratio ~10, while a secondary liquid filter (water, AgSiO2-eg or Therminol-66) is introduced for spectral splitting. Optical, electrical and thermal-fluid (sub-)models are developed and coupled to study the performance of this collector. Each sub-model is individually checked against results taken from the literature with maximum deviations under 10%. Subsequently, the optical and electrical models are coupled with a 3-D thermal-fluid CFD model (using COMSOL Multiphysics 6.1) to predict the electrical and thermal performance of the collector. Results show that when water is used as the optical filter, the maximum overall thermal (filter channel plus primary channel) and electrical efficiencies of the collector reach ~45% and 15%, respectively. A comparison between water, AgSiO2-eg and Therminol-66 reveals that AgSiO2-eg improves the thermal efficiency of the filter channel by ~25% (absolute) compared to Therminol-66 and water, however, this improvement — which arises from the thermal performance of the filter — comes at an expense of a ~5% electrical efficiency loss.

传统的平板光伏-热(PV-T)集热器可以同时发电和发热;然而,后者的出口温度通常低于60°C,限制了它们的广泛应用。光学浓缩的使用可以产生更高温度的热量,但这也会导致集热器中PV电池的工作温度升高,进而导致其电气性能下降。为了克服这一挑战,可以使用一种吸收红外线并传输太阳光谱可见部分的分光滤光片,这样,带隙以下的波长被发送到电池中用于发电,而带隙以上的波长被发送到热去耦吸收器中,在比电池高得多的温度下产生热量。在本研究中,将一次传热流体(水)流动的三角形一次PV-T通道集成到几何浓度比为~10的抛物线槽聚光器中,同时引入二次液体过滤器(水、AgSiO2-eg或Therminol-66)进行光谱分割。建立并耦合了光学、电学和热流体(子)模型来研究该集热器的性能。每个子模型都单独检查从文献中获得的结果,最大偏差小于10%。随后,将光学和电学模型与三维热流体CFD模型(使用COMSOL Multiphysics 6.1)相结合,预测集热器的电学和热学性能。结果表明,以水作为滤光器时,集热器的最大总热效率(滤光器通道加主通道)和最大电效率分别达到~45%和15%。对水、AgSiO2-eg和Therminol-66的比较表明,与Therminol-66和水相比,AgSiO2-eg将过滤器通道的热效率提高了约25%(绝对),然而,这种改进——来自过滤器的热性能——是以约5%的电效率损失为代价的。
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引用次数: 0
Working with uncertainty in life cycle costing: New approach applied to the case study on proton exchange membrane water electrolysis 生命周期成本的不确定性:质子交换膜水电解案例研究的新方法
IF 6.2 4区 工程技术 Q3 ENERGY & FUELS Pub Date : 2025-07-23 DOI: 10.1007/s11708-025-1033-1
Yajing Chen, Mohamed Benchat, Christine Minke

Hydrogen, recognized as a critical energy source, requires green production methods, such as proton exchange membrane water electrolysis (PEMWE) powered by renewable energy. This is a key step toward sustainable development, with economic analysis playing an essential role. Life cycle costing (LCC) is commonly used to evaluate economic feasibility, but traditional LCC analyses often provide a single cost outcome, which limits their applicability across diverse regional contexts. To address these challenges, a Python-based tool is developed in this paper, integrating a bottom-up approach with net present value (NPV) calculations and Monte Carlo simulations. The tool allows users to manage uncertainty by intervening in the input data, producing a range of outcomes rather than a single deterministic result, thus offering greater flexibility in decision-making. Applying the tool to a 5 MW PEMWE plant in Germany, the total cost of ownership (TCO) is estimated to range between €52 million and €82.5 million, with hydrogen production costs between 5.5 and 11.4 €/kg H2. There is a 95% probability that actual costs fall within this range. Sensitivity analysis reveals that energy prices are the key contributors to LCC, accounting for 95% of the variance in LCC, while iridium, membrane materials, and power electronics contribute to 75% of the variation in construction-phase costs. These findings underscore the importance of renewable energy integration and circular economy strategies in reducing LCC.

氢是公认的关键能源,需要绿色生产方法,如可再生能源驱动的质子交换膜电解(PEMWE)。这是迈向可持续发展的关键一步,经济分析起着至关重要的作用。生命周期成本(LCC)通常用于评估经济可行性,但传统的LCC分析通常提供单一的成本结果,这限制了它们在不同地区背景下的适用性。为了应对这些挑战,本文开发了一个基于python的工具,将自底向上的方法与净现值(NPV)计算和蒙特卡罗模拟相结合。该工具允许用户通过干预输入数据来管理不确定性,产生一系列结果而不是单一的确定性结果,从而为决策提供更大的灵活性。将该工具应用于德国一家5兆瓦的PEMWE工厂,总拥有成本(TCO)估计在5200万欧元至8250万欧元之间,氢气生产成本在5.5至11.4欧元/千克氢气之间。实际成本有95%的可能性落在这个范围内。敏感性分析显示,能源价格是LCC的主要影响因素,占LCC变化的95%,而铱、膜材料和电力电子对施工阶段成本变化的贡献为75%。这些发现强调了可再生能源整合和循环经济战略对降低LCC的重要性。
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引用次数: 0
Deep learning-based structural characterization and mass transport analysis of CO2 reduction catalyst layers 基于深度学习的CO2还原催化剂层结构表征与传质分析
IF 6.2 4区 工程技术 Q3 ENERGY & FUELS Pub Date : 2025-07-15 DOI: 10.1007/s11708-025-1029-x
Tianzi Bi, Yuan Liu, Yuxuan Wei, Rongyi Wang, Runxi Yuan, Guiru Zhang, Huiyuan Li, Xiaojing Cheng, Shuiyun Shen, Junliang Zhang

Electrochemical CO2 reduction (CO2RR) is a promising technology for mitigating global climate change. The catalyst layer (CL), where the reduction reaction occurs, plays a pivotal role in determining mass transport and electrochemical performance. However, accurately characterizing local structures and quantifying mass transport remains a significant challenge. To address these limitations, a systematic characterization framework based on deep learning (DL) is proposed. Five semantic segmentation models, including Segformer and DeepLabV3plus, were compared with conventional image processing techniques, among which DeepLabV3plus achieved the highest segmentation accuracy (> 91.29%), significantly outperforming traditional thresholding methods (72.35%–77.42%). Experimental validation via mercury intrusion porosimetry (MIP) confirmed its capability to precisely extract key structural parameters, such as porosity and pore size distribution. Furthermore, a series of ionomer content gradient experiments revealed that a CL with an ionomer/catalyst (I/C) ratio of 0.2 had the optimal pore network structure. Numerical simulations and electrochemical tests demonstrated that this CL enabled a twofold increase in gas diffusion distance, thereby promoting long-range mass transport and significantly enhancing CO production rates. This work establishes a multi-scale analysis framework integrating “structural characterization, mass transport simulation, and performance validation,” offering both theoretical insights and practical guidance for the rational design of CO2RR CLs.

电化学CO2还原技术(CO2RR)是一项很有前途的减缓全球气候变化的技术。催化层(CL)是还原反应发生的地方,在决定质量传递和电化学性能方面起着关键作用。然而,准确表征局部结构和量化质量输运仍然是一个重大挑战。为了解决这些限制,提出了一个基于深度学习(DL)的系统表征框架。对Segformer和DeepLabV3plus 5种语义分割模型进行了对比,其中DeepLabV3plus的分割准确率最高(91.29%),显著优于传统阈值分割方法(72.35% ~ 77.42%)。通过压汞孔隙度法(MIP)的实验验证,证实了该方法能够精确提取孔隙度和孔径分布等关键结构参数。此外,一系列的离聚体含量梯度实验表明,当离聚体/催化剂(I/C)比为0.2时,CL具有最佳的孔隙网络结构。数值模拟和电化学测试表明,这种CL使气体扩散距离增加了两倍,从而促进了远距离质量传递,显著提高了CO的产率。本研究建立了一个集“结构表征、质量输运模拟和性能验证”于一体的多尺度分析框架,为CO2RR CLs的合理设计提供了理论见解和实践指导。
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引用次数: 0
Review of combustion technologies for ammonia-diesel compression ignition engines: Approaches to achieving high ammonia substitution 氨-柴油压缩点火发动机燃烧技术综述:实现高氨替代的途径
IF 6.2 4区 工程技术 Q3 ENERGY & FUELS Pub Date : 2025-07-10 DOI: 10.1007/s11708-025-1017-1
Yuanqing Qu, Yuxiao Qiu, You Zhang, Yanyuan Zhang, Christine Mounaïm-Rousselle, Dong Han, Zhen Huang

Ammonia, as a zero-carbon fuel, has great potential for meeting decarbonization targets in the internal combustion engine sector. This paper summarizes recent studies in which ammonia is used as a fuel for compression-ignition engines. Due to its low combustion reactivity, ammonia must be used in conjunction with a high reactivity fuel, such as diesel, to ensure stable engine operation. Currently, two main approaches are used to supply ammonia to the engine combustion chamber: ammonia port injection and in-cylinder direct injection. In the two routes, ammonia-diesel engines commonly face challenges such as low ammonia energy rate (AER), limited thermal efficiency, and high emissions of nitrogen-containing pollutants, especially under high ammonia substitution conditions. To address these challenges, this study reviews combustion technologies capable of achieving relatively high AER, such as premixed charge compression ignition (PCCI) and reaction-controlled compression ignition (RCCI), and analyzes their impact on combustion and emissions characteristics. This paper also examines combustion technologies under ultra-high AER conditions and finds that technologies such as diesel pilot injection and ammonia-diesel stratified injection can support stable engine operation. This review provides insights into current progress, remaining challenges, and future directions in ammonia-diesel engine combustion technologies.

氨作为一种零碳燃料,在实现内燃机领域脱碳目标方面具有巨大潜力。本文综述了近年来氨作为压缩点火发动机燃料的研究进展。由于氨的燃烧反应性较低,因此必须与高反应性燃料(如柴油)一起使用,以确保发动机稳定运行。目前,向发动机燃烧室供应氨气主要有两种方式:氨口喷射和缸内直喷。在这两条路线中,氨柴油发动机普遍面临着氨能率(AER)低、热效率有限、含氮污染物排放高等挑战,特别是在高氨替代条件下。为了应对这些挑战,本研究回顾了能够实现相对较高AER的燃烧技术,如预混装药压缩点火(PCCI)和反应控制压缩点火(RCCI),并分析了它们对燃烧和排放特性的影响。本文还研究了超高AER条件下的燃烧技术,发现柴油先导喷射和氨柴油分层喷射等技术可以支持发动机的稳定运行。本文综述了氨-柴油发动机燃烧技术的现状、挑战和未来发展方向。
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引用次数: 0
Engineered supramolecular crystals for high-capacity hydrogen storage 用于高容量储氢的工程超分子晶体
IF 6.2 4区 工程技术 Q3 ENERGY & FUELS Pub Date : 2025-07-10 DOI: 10.1007/s11708-025-1026-0
Jiayi Zuo, Hao Wang, Hongyi Gao

Hydrogen storage is a critical component in transition to clean energy systems and the promotion of sustainable practices across various industries. The primary technical challenge lies in designing adsorbent materials that effectively balance both volumetric and gravimetric storage capabilities while ensuring operational reliability. Achieving this balance is essential for the efficient and practical application of hydrogen in fuel-based systems. Recently, in Nature Chemistry, Stoddart et al. introduced a straightforward and precise method: multivalent hydrogen bonding facilitates molecular linkage at defined nodal points in hydrogen-bonded organic frameworks (HOFs). This methodology demonstrates simultaneous optimization of hydrogen storage performance, achieving notable volumetric (53.7 g/L) and gravimetric (9.3 wt%) capacities under dynamic thermo-pressure cycling conditions.

氢储存是向清洁能源系统过渡和促进各行业可持续实践的关键组成部分。主要的技术挑战在于设计吸附剂材料,在确保运行可靠性的同时,有效地平衡体积和重量存储能力。实现这种平衡对于氢在燃料基系统中的有效和实际应用至关重要。最近,Stoddart等人在Nature Chemistry上介绍了一种简单而精确的方法:多价氢键促进了氢键有机框架(HOFs)中定义节点的分子连接。该方法同时优化了储氢性能,在动态热压循环条件下实现了显著的体积(53.7 g/L)和重量(9.3 wt%)容量。
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引用次数: 0
Acid-stable bimetallic phosphide-silver core-shell nanowires with a seamlessly conductive network for enhanced hydrogen evolution reaction 具有无缝导电网络的酸稳定双金属磷化银核壳纳米线,用于增强析氢反应
IF 6.2 4区 工程技术 Q3 ENERGY & FUELS Pub Date : 2025-07-10 DOI: 10.1007/s11708-025-1023-3
Hang Yu, Jianhua Zhang, Kailing Zhou, Hao Wang

Developing low-cost and high-performance acid-resistant electrocatalysts is essential for the industrialization of hydrogen production via proton exchange membrane water electrolysis. Herein, an acid-stable bimetal phosphide (NiCoP) catalyst wrapped around silver nanowires (Ag NWs), forming a seamless conductive core-shell structure (NiCoP@Ag NWs), is reported to enhance the hydrogen evolution reaction (HER). The incorporation of Ag NWs creates an uninterrupted conductive network that facilitates efficient electron transfer and provides a large electrolyte-accessible surface area for mass transport. The synergistic interaction among Ni, Co, and P further optimizes electronic structure and decreases the energy barrier of NiCoP@Ag NWs for H* adsorption and desorption. More importantly, the distinctive core-shell structure imparts outstanding acid resistance to the catalyst. Notably, NiCoP@Ag NWs displays remarkable HER performance, with a low overpotential of 109 mV (significantly lower than Ni2P@Ag NWs at 144 mV and Co2P@Ag NWs at 174 mV) at a current density of 10 mA/cm2, along with excellent durability exceeding 100 h in acidic media. These features surpass most reported non-noble metal catalysts, demonstrating extraordinary potential for practical hydrogen production via acidic water electrolysis.

开发低成本、高性能的耐酸电催化剂是实现质子交换膜电解制氢产业化的必要条件。本文报道了一种酸稳定的双金属磷化物(NiCoP)催化剂包裹在银纳米线(Ag NWs)上,形成一个无缝导电的核壳结构(NiCoP@Ag NWs),从而增强了出氢反应(HER)。Ag NWs的加入创造了一个不间断的导电网络,促进了有效的电子转移,并为质量传输提供了一个大的电解质可接近的表面积。Ni、Co和P之间的协同作用进一步优化了电子结构,降低了NiCoP@Ag NWs对H*吸附和解吸的能垒。更重要的是,独特的核壳结构赋予催化剂出色的耐酸性能。值得注意的是,NiCoP@Ag NWs在电流密度为10 mA/cm2时具有109 mV的低过电位(显著低于Ni2P@Ag NWs 144 mV和Co2P@Ag NWs 174 mV),并且在酸性介质中具有超过100小时的优异耐久性。这些特性超越了大多数报道的非贵金属催化剂,展示了通过酸性电解实际制氢的非凡潜力。
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引用次数: 0
Erratum to: Life cycle assessment of hydrogen production pathways to support hydrogen decarbonization policies in a Canadian context 勘误:氢生产途径的生命周期评估,以支持加拿大背景下的氢脱碳政策
IF 6.2 4区 工程技术 Q3 ENERGY & FUELS Pub Date : 2025-07-10 DOI: 10.1007/s11708-025-1030-4
Giovanna Gonzales-Calienes, Miyuru Kannangara, Jianjun Yang, Jalil Shadbahr, Farid Bensebaa, Anton Alvarez-Majmutov, Jinwen Chen, Nima Ghavidel Mehr, Marzouk Benali
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引用次数: 0
Solar-driven plastic waste conversion: A mini-review on photoreforming for Co-producing hydrogen and chemical feedstocks 太阳能驱动的塑料废物转化:联合生产氢和化学原料的光重整综述
IF 6.2 4区 工程技术 Q3 ENERGY & FUELS Pub Date : 2025-07-10 DOI: 10.1007/s11708-025-1022-4
Runzhi Yuan, Zejun Zhang, Fankai Bu, Zhidong Wei, Junying Liu, Wenfeng Shangguan

The increasing accumulation of discarded plastics has already caused serious environmental pollution. Simple landfills and incineration will inevitably lead to the loss of the abundant carbon resources contained in plastic waste. In contrast, photoconversion technology provides a green and sustainable solution to the global plastic waste crisis by converting plastics into hydrogen fuel and valuable chemicals. This review briefly introduces the advantages of photoconversion technology and highlights recent research progress, with a focus on photocatalyst design as well as the thermodynamics and kinetics of the reaction process. It discusses in detail the degradation of typical common plastic types into hydrogen and fine chemicals via photoconversion. Additionally, it outlines future research directions, including the application of artificial intelligence in catalyst design. Although photocatalytic technology remains at the laboratory stage, with challenges in catalyst performance and industrial scalability, the potential for renewable energy generation and plastic valorization is promising.

废弃塑料的不断堆积已经造成了严重的环境污染。简单的填埋和焚烧将不可避免地导致塑料垃圾中所含丰富的碳资源的损失。相比之下,光转化技术通过将塑料转化为氢燃料和有价值的化学品,为全球塑料废物危机提供了绿色和可持续的解决方案。本文简要介绍了光转化技术的优点,重点介绍了近年来的研究进展,重点介绍了光催化剂的设计以及反应过程的热力学和动力学。详细讨论了典型的普通塑料类型通过光转化降解为氢和精细化学品。展望了未来的研究方向,包括人工智能在催化剂设计中的应用。虽然光催化技术仍处于实验室阶段,在催化剂性能和工业可扩展性方面面临挑战,但可再生能源发电和塑料增值的潜力是有希望的。
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引用次数: 0
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