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Synergistically dissipating the local strain and restraining lattice oxygen escape by fine-tuning of microstructure enabling Ni-rich cathodes with superior cyclabilities

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Journal of Energy Chemistry 2025年第6期105卷 24-34页

作者： Fengxia Fan Ruixin Zheng Chenrui Zeng Haoyang Xu Xinxiang Wang Guilei Tian Shuhan Wang Chuan Wang Pengfei Liu Chaozhu Shu College of Materials and Chemistry & Chemical Engineering Chengdu University of Technology

LiNixCoyMn2O2（NCM,x≥0.8,x+y+z=1） cathodes have attracted much attention due to their high specific capacity and low ***,severe anisotropic volume changes and oxygen evolution induced capacity decay and insecurity have hindered their commercial application at *** order to overcome these challenges,a kind of tantalum（Ta） doped nickel-rich cathode with reduced size and significantly increased number of primary particles is prepared by combining mechanical fusion with high temperature *** elaborately designed micro-morphology of small and uniform primary particles effectively eliminates the local strain accumulation caused by the random orientation of primary ***,the uniform distribution of small primary particles stabilizes the spherical secondary particles,thus effectively inhibiting the formation and extension of *** addition,the formed strong Ta-O bonds restrain the release of lattice oxygen,which greatly increases the structural stability and safety of NCM ***,the cathode material with the designed primary particle morphology shows superior electrochemical *** 1 mol% Ta-modified cathode（defined as1% Ta-NCM） shows a capacity retention of 97.5% after 200 cycles at 1 C and a rate performance of 137.3 mAh g-1at 5 *** work presents promising approach to improve the structural stability and safety of nickel-rich NCM.

关键词： Lattice oxygen Lithium-ion batteries Microcracks Ni-rich cathodes Structural stability

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Exploring the optimal molecular weight of polyacrylic acid binder for silicon nanoparticle anodes in lithium-ion batteries

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Journal of Energy Chemistry 2025年第6期105卷 76-86页

作者： Zhengwei Wan Siying Li Weiting Tang Chengjun Dai Jingting Yang Zheng Lin Juncheng Qiu Min Ling Zhan Lin Zeheng Li College of Chemical and Biological Engineering Zhejiang University School of Chemical Engineering and Light Industry Guangdong University of Technology

Polyacrylic acid（PAA）-based binders have been demonstrated to significantly enhance the cycling stability of pure silicon（Si） anodes compared to other binder ***,there is a notable lack of systematic and in-depth investigation into the relationship between the molecular weight（MW） of PAA and its performance in pure Si anodes,leading to an absence of reliable theoretical guidance for designing and optimizing of PAA-based binders for these ***,we select a series of PAA with varying MWs as binders for Si nanoparticle（SiNP） anodes to systematically identify the optimal MW of PAA for enhancing the electrochemical performance of SiNP *** actual MWs of the various PAA were confirmed by gel permeation chromatography to accurately establish the relationship between MW and binder *** an ultrawide weight average molecular weight（Mw） range of 35.9-4850 kDa,we identify that the PAA binder with a Mwof 1250 kDa（PAA125） exhibits the strongest mechanical strength and the highest adhesion strength,attributed to its favorable molecular chain orientation and robust interchain *** characteristics enable the SiNP anodes utilizing PAA125 to maintain the best interfacial chemistry and bulk mechanical structure stability,leading to optimal electrochemical ***,the enhancement in cycling stability of SiNP anode by PAA125 under practical application conditions is further validated by the 1.1 Ah LLNi0.8Co0.1Mn0.1O2/SiNP@PAA125 pouch cell.

关键词： Average molecular weight Binder Polyacrylic acid Pouch cells Silicon anodes

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In-depth multi-component analysis of bio-aviation fuel derived from waste cooking oil using comprehensive two-dimensional gas chromatography mass spectrometry

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Frontiers of chemical Science and engineering 2024年第12期18卷 23-31页

作者： Yang Xu Xuan Guo Meng Wang Yunming Fang College of Chemical Engineering Beijing University of Chemical TechnologyBeijing 100029China College of Life Science and Technology Beijing University of Chemical TechnologyBeijing 100029China

The characterization of bio-aviation fuel composition is paramount for assessing biomass conversion processes and its suitability to meet international *** with one-dimensional gas chromatography mass spectrometry(1DGC-MS),comprehensive two-dimensional gas chromatography with mass spectrometry(GC×GC-MS)emerges as a promising analytical approach for bio-aviation fuel,offering enhanced separation,resolution,selectivity,and *** study addresses the qualitative and quantitative analysis methods for both bulk components and trace fatty acid methyl ester(FAME)in bio-aviation fuel obtained by hydrogenation at 400℃ with Ni-Mo/γ-Al_(2)O_(3)&Meso-SAPO-11 as catalyst using GC×*** bulk composition analysis,C1_(2) concentration was highest at 25.597%.Based on GC×GC-MS analysis platform,the quality control method of FAME in bio-aviation fuel was *** the split ratio of 10:1,limits of detections of six FAMEs were 0.011–0.027 mg·kg^(–1),and limits of quantifications were 0.036–0.090 mg·kg^(–1),and the GC×GC-MS research platform had the ability to detect FAME from 2 to 5 mg·kg^(–1).The results showed that this bio-aviation fuel did not contain FAME.

关键词： bio-aviation fuel fatty acid methyl ester GC×GC-MS quantity

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Hydrophobic CHA-ZIFs with a junctional trap between cha and d6r cages for adsorption of 2,3-butanediol in aqueous solution

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Chinese Journal of chemical engineering 2024年第9期73卷 90-100页

作者： Lifang Ge Meizhen Gao Xiaosheng Zhang Jiang Wang Qi Shi Jinxiang Dong College of Chemical Engineering and Technology Shanxi Key Laboratory of Chemical Product EngineeringTaiyuan University of TechnologyTaiyuan 030024China

The adsorption and separation of diols from dilute aqueous solution using hydrophobic materials is very challenging due to the strong diol-water hydrogen-bonding interactions. Herein, we screened hydrophobic zeolitic imidazolate frameworks(ZIFs) with chabazite(CHA) topology for separation of 2,3-butanediol(2,3-BDO) and 1,3-propanediol(1,3-PDO), which had junctional and hydrophobic traps matching the two end methyl groups of the 2,3-BDO molecule. Based on CHA-ZIFs with the same small-sized ligand 2-methylimidazole(mIm) and different large-sized ligand benzimidazole derivatives(RbIm),CHA-ZIFs with larger surface areas were obtained by the addition of excess small-sized ligand mIm in the synthesis process. We showed that all of the hydrophobic CHA-ZIFs preferentially adsorbed 2,3-BDO over 1,3-PDO by static batch adsorption and dynamic column adsorption experiments. But ZIF-301 and ZIF-300 with halogen groups exhibited better adsorptive separation performance for 2,3-BDO/1,3-PDO than ZIF-302 with methyl groups. For a typical ZIF-301, its adsorption capacity for 2,3-BDO was 116.4 mg·g^(-1)and selectivity for 2,3-BDO/1,3-PDO was 3.8 in dynamic column adsorption of the binary-component system(2,3-BDO/1,3-PDO: 50 g·L^(-1)/50 g·L^(-1)). Computational simulations revealed that 2,3-BDO preferentially adsorbed in a trap at the junction between the cha and d6r cages of CHA-ZIFs,meaning the strong host-guest interactions. Therefore, the hydrophobic CHA-ZIFs with a junctional trap were promising candidate materials for adsorbing 2,3-BDO, which also provided a new perspective for separating diols in dilute aqueous solutions.

关键词： Adsorption Separation Aqueous solution Zeolitic imidazolate frameworks Junctional and hydrophobic trap Diols

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Dynamic Process Monitoring Based on Dot Product Feature Analysis for Thermal Power Plants

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IEEE/CAA Journal of Automatica Sinica 2025年第3期12卷 563-574页

作者： Xin Ma Tao Chen Youqing Wang the College of Information Science and Technology Beijing University of Chemical Technology the Department of Chemical and Process Engineering University of Surrey IEEE

Data-driven process monitoring is an effective approach to assure safe operation of modern manufacturing and energy systems, such as thermal power plants being studied in this work. Industrial processes are inherently dynamic and need to be monitored using dynamic algorithms. Mainstream dynamic algorithms rely on concatenating current measurement with past data. This work proposes a new, alternative dynamic process monitoring algorithm, using dot product feature analysis(DPFA).DPFA computes the dot product of consecutive samples, thus naturally capturing the process dynamics through temporal correlation. At the same time, DPFA's online computational complexity is lower than not just existing dynamic algorithms, but also classical static algorithms(e.g., principal component analysis and slow feature analysis). The detectability of the new algorithm is analyzed for three types of faults typically seen in process systems:sensor bias, process fault and gain change fault. Through experiments with a numerical example and real data from a thermal power plant, the DPFA algorithm is shown to be superior to the state-of-the-art methods, in terms of better monitoring performance(fault detection rate and false alarm rate) and lower computational complexity.

关键词： Computational complexity dot product feature analysis (DPFA) dynamic process multivariate statistics process monitoring

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Process intensification for the synthesis and purification of battery-grade Li_(2)CO_(3)with microfluidics

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Particuology 2024年第7期90卷 106-117页

作者： Haodu Li Jie Zhang Lin Dai Le Du Jiqin Zhu The State Key Laboratory of Chemical Resource Engineering College of Chemical EngineeringBeijing University of Chemical TechnologyBeijing 100029China

Battery-grade lithium carbonate(Li_(2)CO_(3))with a purity of higher than 99.5 wt%is of great importance as a high value-added lithium ***,influences of different reaction systems and process control on product purity remain ***,a membrane dispersion microreactor was used to enhance the mass transfer of preparation and purification processes in homogeneous and heterogeneous *** systems of Na_(2)CO_(3)–LiCl,NH_(4)HCO_(3)–LiCl,and NH_(3)·H_(2)O−CO_(2)−LiCl,CO_(2)purification based on carbonation and decomposition were *** Li_(2)CO_(3)purity was increased by the improvement of mixing *** carbonation time was reduced by 62.5%and 58.3%for the NH_(3)·H_(2)O−CO_(2)and CO_(2)purification systems,*** the two ammonia-based systems,Li_(2)CO_(3)particles with a purity of 99.7–99.8 wt%were one-step prepared with a size of 3–5μm,which also met the requirement of the battery-grade *** purity was further increased to 99.9 wt%by CO_(2)purification and LiHCO_(3)*** investigation could provide a feasible alternative for the controllable preparation of battery-grade Li_(2)CO_(3)in one or multiple steps.

关键词： Microfluidics Battery grade Li_(2)CO_(3) Process intensification High purity

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Bright and stable quantum confined CsPbBr_(3) nanocrystals through post-synthetic chemical cutting and in-situ encapsulation

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Nano Research 2025年第2期18卷 896-904页

作者： Hao Zhang Jiang Chen Tiantian Zhu Rui Wang Xuemei Wang Xijun Xu Jianli Wang College of Chemical Engineering Zhejiang University of TechnologyHangzhou 310014China

Quantum-confined CsPbBr_(3) nanocrystals are promising cyan/blue-emitting materials with exceptional potential for advanced lighting and display ***,their practical application is often limited by low luminescent efficiency,undesirable color purity and instability stemming from inadequate size uniformity,and high surface defect ***,we propose a post-synthetic chemical cutting and in-situ encapsulation approach using 3-aminopropyltriethoxysilane(APTES)combined with polymethylhydrosiloxane(PMHS)to synthesize and stabilize CsPbBr_(3) nanocrystals with significant quantum *** can function as a chemical scissor efficiently cutting the green emitting CsPbBr_(3)(9.8 nm)to smaller counterparts(3.97.9 nm),while also passivating surface defects through A-site *** between APTES and PMHS prevents phase transformation during synthesis and forms a polymeric network that encapsulates and separates the quantum confined CsPbBr_(3).The resulting composites exhibit tunable emission from 517 to 461 nm,a narrow linewidth of approximately 15 nm,and quantum yields over 80%.Moreover,incorporating one CsPbBr_(3) composite into a white light-emitting diode to fill the“cyan gap”significantly enhances the color rendering index from 77.7 to *** work provides an effective strategy for developing bright and stable quantum confined CsPbBr_(3) for advanced lighting applications.

关键词： perovskite nanocrystal CsPbBr quantum confinement luminescent efficiency stability

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Promoting electrocatalytic nitrogen reduction to ammonia via dopant boron on two-dimensional materials

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Rare Metals 2024年第10期43卷 5117-5125页

作者： Ya-Hui Cui Wen-Cheng Ouyang Ai-Jun Gao Chang-Yuan Yu Li-Peng Zhang State Key Laboratory of Organic-Inorganic Composites College of Chemical EngineeringBeijing University of Chemical TechnologyBeijing 100029China College of Materials Science and Engineering Beijing University of Chemical TechnologyBeijing 100029China College of Life Science and Technology Beijing University of Chemical TechnologyBeijing 100029China

Electrocatalytic nitrogen reduction reaction(NRR)is a key process for producing energy efficient and environment friendly ***-doped two-dimensional materials are highly promising as NRR ***,the interaction between doped boron and matrix materials on NRR catalytic performance is still unclear,which is limiting the development of catalysts containing boron for ***,NRR on different boron-doped twodimensional(2D)materials was explored by first principle *** is found that adsorption energy of intermediate*NNH(E*NNH)can be used as a descriptor to characterize the catalytic activity for ***-adsorbed black phosphorus(B-BP)is demonstrated showing excellent NRR catalytic activity and suppressing hydrogen evolution *** is disclosed that the excellent catalytic performance of boron-doped structures comes from a proper quantitatively electron transfer(0.8e)between nitrogen in*NNH and the active site boron *** work not only established a descriptor for NRR catalytic activity on B-doped 2D materials,but also screened out a potential NRR *** importantly,the intrinsic reason and mechanism of high catalytic activity of boron-doped structures were *** work provides a design principle for exploring high-performance NRR electrocatalysts containing boron.

关键词： Electrocatalytic nitrogen reduction reaction Boron-doped two-dimensional materials Descriptor Density functional theory

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Selection of refrigerant based on multi-objective decision analysis for different waste heat recovery schemes

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Chinese Journal of chemical engineering 2025年第1期77卷 236-247页

作者： Chengyun Li Jiawen Yang Li Xia Xiaoyan Sun Lili Wang Chao Chen Shuguang Xiang College of Chemical Engineering Qingdao University of Science and TechnologyQingdao 266042China

Waste heat generation,upgrading,and refrigeration are the fundamental ways to recover and utilize waste *** the use of refrigerants also contributes to creating energy savings and minimizing carbon *** study evaluates the thermodynamics,economics,and environment of different refrigerants in three waste heat recovery schemes:generate electricity,heat pump,and *** on this,the entropy weight and technique for order preference by similarity to an ideal solution are combined to assess the overall performance of the refrigerants.A thorough analysis reveals that R1234ze(E)could replace R245fa and R123 in the organic Rankine *** best refrigerant for vapor compression refrigeration and high-temperature heat pump systems is *** addition,the multi-objective decision analysis shows that the performance difference among the nine selected refrigerants is the total cost,followed by the environmental *** approach successfully recognizes the variations between different refrigerants in the same waste heat recovery scheme and gives a thorough *** sets instructions for the future use of eco-friendly refrigerants and their application of waste heat recovery schemes.

关键词： Waste heat recovery Refrigerants TOPSIS Process systems Economics Environment

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Highly dispersed Pd nanoparticles in situ reduced and stabilized by nitrogen-alkali lignin-doped phenolic nanospheres and their application in vanillin hydrodeoxygenation

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Frontiers of chemical Science and engineering 2024年第11期18卷 205-216页

作者： Xue Gu Yu Qin Jiahui Wei Bing Yuan Fengli Yu Liantao Xin Congxia Xie Shitao Yu State Key Laboratory Base of Eco-chemical Engineering College of Chemistry and Molecular EngineeringCollege of Chemical EngineeringQingdao University of Science and TechnologyQingdao 266042China

Herein,we introduced a nitrogen-alkali lignin-doped phenolic resin(N@AL_(n)PR)to produce palladium nanoparticles through an in situ reduction of palladium in an aqueous phase,without the need for additional reagents or a reducing *** phenolic resin nanospheres and the resulting palladium nanoparticles were extensively *** lignin created a highly conducive environment for nitrogen incorporation,dispersion,reduction,and stabilization of palladium,leading to a distinct catalytic performance of palladium nanoparticles in vanillin *** specific conditions of 1 mmol of vanillin,40 mg of catalyst,1 MPa H_(2),90°C,and 3 h,the optimized Pd/N@AL_(30)PR catalyst exhibited a nearly complete conversion of vanillin,98.9%selectivity toward p-creosol,and good stability for multiple ***,an environmentally friendly lignin-based catalyst was developed and used for the efficient hydrodeoxygenation conversion of lignin-based platform compounds.

关键词： alkali lignin phenolic nanosphere palladium nanoparticles hydrodeoxygenation vanillin

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