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Emerging trends in the selective production of value-added aromatics

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Science China Chemistry 2025年第1期68卷 15-20页

作者： Yuchao Wu Houliang Dai Weisheng Yang Yaxing Li Lichen Liu Petrochemical research Institute Company Limited China National Petroleum Corporation engineering research center of Advanced Rare Earth Materials Department of Chemistry Tsinghua University

1 Introduction Aromatics (mainly benzene, toluene, and xylenes, BTX) are essential intermediates in the chemical industry. They are employed in the synthesis of a broad spectrum of chemicals and materials, e.g., various polymers, plastics, resins, solvents, dyes, pharmaceuticals [1]. The manufacturing pathway of BTX mainly includes petroleum reforming of naphtha, coal-to-aromatics, methanol-to-aromatics [2].

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Prediction and optimization of flue pressure in sintering process based on SHAP

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 346-359页

作者： Mingyu Wang Jue Tang Mansheng Chu Quan Shi Zhen Zhang School of Metallurgy Northeastern UniversityShenyang 110819China Liaoning Low-Carbon Steelmaking Technology engineering research center Northeastern UniversityShenyang 110819China engineering research center of Frontier Technologies for Low-Carbon Steelmaking(Ministry of Education) Shenyang 110819China

Sinter is the core raw material for blast *** pressure,which is an important state parameter,affects sinter *** this paper,flue pressure prediction and optimization were studied based on the shapley additive explanation(SHAP)to predict the flue pressure and take targeted adjustment ***,the sintering process data were collected and processed.A flue pressure prediction model was then constructed after comparing different feature selection methods and model algorithms using SHAP+extremely random-ized trees(ET).The prediction accuracy of the model within the error range of±0.25 kPa was 92.63%.SHAP analysis was employed to improve the interpretability of the prediction *** effects of various sintering operation parameters on flue pressure,the relation-ship between the numerical range of key operation parameters and flue pressure,the effect of operation parameter combinations on flue pressure,and the prediction process of the flue pressure prediction model on a single sample were analyzed.A flue pressure optimization module was also constructed and analyzed when the prediction satisfied the judgment *** operating parameter combination was then *** flue pressure was increased by 5.87%during the verification process,achieving a good optimization effect.

关键词： sintering process flue pressure shapley additive explanation prediction optimization

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Optimizing electronic structure through point defect engineering for enhanced electrocatalytic energy conversion

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Green Energy & Environment 2025年第1期10卷 109-131页

作者： Wei Ma Jiahao Yao Fang Xie Xinqi Wang Hao Wan Xiangjian Shen Lili Zhang Menggai Jiao Zhen Zhou Interdisciplinary research center for Sustainable Energy Science and engineering(IRC4SE2) School of Chemical EngineeringZhengzhou UniversityHenan450001China

Point defect engineering endows catalysts with novel physical and chemical properties,elevating their electrocatalytic *** introduction of defects emerges as a promising strategy,effectively modifying the electronic structure of active *** optimization influences the adsorption energy of intermediates,thereby mitigating reaction energy barriers,altering paths,enhancing selectivity,and ultimately improving the catalytic efficiency of *** elucidate the impact of defects on the electrocatalytic process,we comprehensively outline the roles of various point defects,their synthetic methodologies,and characterization ***,we consolidate insights into the relationship between point defects and catalytic activity for hydrogen/oxygen evolution and CO_(2)/O_(2)/N_(2) reduction reactions by integrating mechanisms from diverse *** underscores the pivotal role of point defects in enhancing catalytic *** last,the principal challenges and prospects associated with point defects in current electrocatalysts are proposed,emphasizing their role in advancing the efficiency of electrochemical energy storage and conversion materials.

关键词： Point defect engineering Doping Vacancy Electrocatalysis Electronic structure

Secure beamforming and deployment design for rate-splitting multiple access-based UAV communications

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Science China(Information Sciences) 2025年第1期68卷 342-356页

作者： Bing WANG Xiaofeng TAO Shujun HAN Huici WU Kai YANG Zhu HAN National engineering research center of Mobile Network Technologies Beijing University of Posts and Telecommunications Peng Cheng Laboratory Department of Electrical and Computer engineering University of Houston

Rate-splitting multiple access(RSMA) has recently gained attention as a potential robust multiple access(MA)scheme for upcoming wireless networks. Given its ability to efficiently utilize wireless resources and design interference management strategies, it can be applied to unmanned aerial vehicle(UAV) networks to provide convenient services for large-scale access ground users. However, due to the line-of-sight(LoS) broadcast nature of UAV transmission, information is susceptible to eavesdropping in RSMA-based UAV networks. Moreover, the superposition of signals at the receiver in such networks becomes complicated. To cope with the challenge, we propose a two-user multi-input single-output(MISO) RSMA-based UAV secure transmission framework in downlink communication networks. In a passive eavesdropping scenario, our goal is to maximize the sum secrecy rate by optimizing the transmit beamforming and deployment location of the UAV-base station(UAV-BS),while considering quality-of-service(QoS) constraints, maximum transmit power, and flight space limitations. To address the non-convexity of the proposed problem, the optimization problem is first decoupled into two subproblems. Then, the successive convex approximation(SCA) method is employed to solve each subproblem using different propositions. In addition, an alternating optimization(AO)-based location RSMA(L-RSMA) beamforming algorithm is developed to implement joint optimization to obtain the suboptimal solution. Numerical results demonstrate that(1) the proposed L-RSMA scheme yields a28.97% higher sum secrecy rate than the baseline L-space division multiple access(SDMA) scheme;(2) the proposed L-RSMA scheme improves the security performance by 42.61% compared to the L-non-orthogonal multiple access(NOMA) scheme.

关键词： rate-splitting multiple access UAV communication precoding optimization deployment location physical layer security

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Co-production of hydrogen, oxygen, and electricity via an integrated solar-driven system with decoupled water electrolyzer and Na-Zn ion battery

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Journal of Energy Chemistry 2025年第1期100卷 621-627页

作者： Fei Lv Longjie Liu Jiazhe Wu Pengfei Wang Lixia Pan Dengwei Jing Yubin Chen International research center for Renewable Energy State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University

Combining water electrolysis and rechargeable battery technologies into a single system holds great promise for the co-production of hydrogen （H2） and ***,the design and development of such systems is still in its ***,an integrated hydrogen-oxygen （O2）-electricity co-production system featuring a bipolar membrane-assisted decoupled electrolyzer and a Na-Zn ion battery was established with sodium nickelhexacyanoferrate （NaNiHCF） and Zn2+/Zn as dual redox *** decoupled electrolyzer enables to produce H2and O2in different time and space with almost 100%Faradaic efficiency at 100 mA ***,the charged NaNiHCF and Zn electrodes after the electrolysis processes formed a Na-Zn ion battery,which can generate electricity with an average cell voltage of 1.75 V at 10 m A *** connecting Si photovoltaics with the modular electrochemical device,a well-matched solar driven system was built to convert the intermittent solar energy into hydrogen and electric energy with a solar to hydrogen-electricity efficiency of 16.7%,demonstrating the flexible storage and conversion of renewables.

关键词： Hydrogen Electricity Decoupled water electrolyzer Na-Zn ion battery Solar energy

Efficient photocatalytic reduction of CO2 to formate by a molecular noble metal-free system

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Science China Chemistry 2025年第1期68卷 152-156页

作者： Lihua Zhang Lingjing Chen Huatian Shi Yue Wei Gui Chen Tai-Chu Lau School of Environment and Civil engineering Research Center for Eco-environmental Engineering Dongguan University of Technology Department of Chemistry and Institute of Molecular Functional Materials City University of Hong Kong

Reducing CO2to carbon-neutral solar fuels can not only alleviate the energy demand but also mitigate the greenhouse *** present,developing an efficient non-noble metal photo/electrocatalytic system for converting CO2to a specific product beyond CO is still a big ***,we report a new cobalt complex bearing 2,2′-bi-1,10-phenanthroline ligand that can photocatalytically reduce CO2to formate （HCOO-）.Turnover number （TON） for HCOO-up to 677 with 99%selectivity can be achieved using organic dyes purpurin as photosensitizer and 1,3-dimethyl-2-phenyl-2,3-dihydro-1H-benzo[d]imidazole （BIH） as sacrificial reductant in a CO2-saturated NMP/TEA （v/v,3:1） solution under visible light *** potential electrolysis at-1.41 V （***/Ag Cl） in the presence of 12 m M Et3NHBF4also produced HCOO-with Faradaic efficiency of 39%.Spectroscopic and electrochemical studies suggest that a[CoI-H]species is the key intermediate for CO2reduction.

关键词： photocatalysis noble metal-free CO2 reduction formate cobalt hydride

Boosting Photocatalytic Performance of Cu-Mn Co-doped CeO_(2) Nanoparticles for Tetracycline Degradation

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Journal of Wuhan University of Technology(Materials Science) 2025年第1期40卷 42-48页

作者： XU Rongqi MI Jianxin WANG Shulin XU Man ZHU Li BAI Lei TANG Dandan LEI Yu engineering research center of Environmental Materials and Membrane Technology of Hubei Province School of Materials Science and EngineeringWuhan Institute of TechnologyWuhan 430205China Shaanxi Coal Chemical Industry Technology research Institute Co. Ltd.Xi’an 710100China

Cu-Mn co-doped CeO_(2) photocatalyst was successfully synthesized by the sol-gel method to assess its capability in degrading *** and TEM results showed that Cu and Mn were successfully co-doped into CeO_(2) without forming heterostructure,XPS and photoelectrochemical results revealed that Mn ions doping amplified the generation of photo-induced charge carriers,while Cu ions doping significantly facilitated the interfacial charge transfer ***,the optimized Cu3Mn2CeO_(2) nanoparticles exhibited the highest TC removal efficiency,achieved a rate of 78.18%and maintained a stable cycling performance.

关键词： photocatalyst co-doped charge separation water treatment

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Identifying the dynamic behaviors in complete reconstruction of Co-based complex precatalysts during electrocatalytic oxygen evolution

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Journal of Energy Chemistry 2025年第1期100卷 226-233页

作者： Jingfang Zhang Danyang Wu Linke Cai Youluan Lu Fanpeng Cheng Lijuan Shi Qun Yi Yao Liu Yi Huang Key Laboratory of Green Chemical engineering Process of Ministry of Education Engineering Research Center of Phosphorus Resources Development and Utilization of Ministry of Education Hubei Key Laboratory of Novel Reactor and Green Chemical Technology School of Chemical Engineering & Pharmacy Wuhan Institute of Technology Key Laboratory of Pesticide & Chemical Biology of Ministry of Education Engineering Research Center of Photoenergy Utilization for Pollution Control and Carbon Reduction of Ministry of Education College of Chemistry Central China Normal University College of Materials Science and engineering Fuzhou University

Transition metal-based nanomaterials have emerged as promising electrocatalysts for oxygen evolution reaction（OER）. Considerable research efforts have shown that self-reconstruction occurs on these nanomaterials under operating conditions of OER process. However, most of them undergo incomplete reconstruction with limited thickness of reconstruction layer, leading to low component utilization and arduous exploration of real catalytic mechanism. Herein, we identify the dynamic behaviors in complete reconstruction of Co-based complexes during OER. The hollow phytic acid（PA） cross-linked CoFe-based complex nanoboxes with porous nanowalls are designed because of their good electrolyte penetration and mass transport ability, in favor of the fast and complete reconstruction. A series of experiment characterizations demonstrate that the reconstruction process includes the fast substitution of PA by OH-to form Co（Fe）(OH)xand subsequent potential-driven oxidation to Co（Fe）OOH. The obtained CoFeOOH delivers a low overpotential of 290 mV at a current density of 10 mA cm-2and a long-term *** experiment results together with theory calculations reveal that the Fe incorporation can result in the electron rearrangement of reconstructed CoFeOOH and optimization of their electronic structure,accounting for the enhanced OER activity. The work provides new insights into complete reconstruction of metal-based complexes during OER and offers guidelines for rational design of high-performance electrocatalysts.

关键词： Oxygen evolution reaction

Record-breaking bifunctional oxygen electrocatalyst accomplished by a data-driven approach for zinc-air batteries

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Journal of Energy Chemistry 2025年第1期100卷 144-145页

作者： Deviprasath Chinnadurai Zhi Wei Seh Institute of Materials research and engineering (IMRE) Agency for Science Technology and Research (A*STAR)

Rechargeable zinc-air batteries(ZABs) have recently drawn great attention in energy research due to their high theoretical capacity,low costs, and inherently safe nature [1–3]. However, the sluggish cathode reactions necessitate the development of bifunctional oxygen electrocatalysts with lower ΔE indicator values. The ΔE indicator is commonly employed to quantitatively evaluate the electrocatalytic activity of a bifunctional oxygen electrocatalyst,representing the overall overpotential from oxygen reduction reaction(ORR) to oxygen evolution reaction(OER).

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