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Mg/Fe site-specific dual-doping to boost the performance of cobalt-free nickle-rich layered oxide cathode for high-energy lithium-ion batteries

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Journal of Energy Chemistry 2024年第4期91卷 670-679页

作者： Yunting Wang Gaohui Du Di Han Wenhao Shi Jiahao Deng Huayu Li Wenqi Zhao Shukai Ding Qingmei Su Bingshe Xu materials institute of Atomic and Molecular Science Shaanxi University of Science and TechnologyXi'an 710021ShanxiChina shanxi-zheda institute of advanced materials and chemical engineering Taiyuan 030024ShanxiChina Key Laboratory of Interface Science and engineering.in advanced materials Taiyuan University of TechnologyTaiyuan 030024ShanxiChina

Layer-type LiNi0.9Mn0.1O2is promising to be the primary cathode material for lithium-ion batteries(LIBs)due to its excellent electrochemical performance.Unfortunately,the cathode with high nickel content suffers from severely detrimental structural transformation that causes rapid capacity attenuation.Herein,site-specific dual-doping with Fe and Mg ions is proposed to enhance the structural stability of LiNi0.9Mn0.1O2.The Fe3+dopants are inserted into transition metal sites(3b)and can favorably provide additional redox potential to compensate for charge and enhance the reversibility of anionic redox.The Mg ions are doped into the Li sites(3a)and serve as O_(2)^(-)-Mg^(2+)-O_(2)^(-)pillar to reinforce the electrostatic cohesion between the two adjacent transition-metal layers,which further suppress the cracking and the generation of harmful phase transitions,ultimately improving the cyclability.The theoretical calculations,including Bader charge and crystal orbital Hamilton populations(COHP)analyses,confirm that the doped Fe and Mg can form stable bonds with oxygen and the electrostatic repulsion of O_(2)^(-)-O_(2)^(-)can be effectively suppressed,which effectively mitigates oxygen anion loss at the high delithiation state.This dual-site doping strategy offers new avenues for understanding and regulating the crystalline oxygen redox and demonstrates significant potential for designing high-performance cobalt-free nickel-rich cathodes.

关键词： Cobalt-free Layered oxide Cathode Dual dopants Density functional theory calculation

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Insight into the experiment and extraction mechanism for separating carbazole from anthracene oil with quaternary ammonium-based deep eutectic solvents

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Chinese Journal of chemical engineering 2024年第1期65卷 188-199页

作者： Xudong Zhang Yanhua Liu Jun Shen Yugao Wang Gang Liu Yanxia Niu Qingtao Sheng College of chemical engineering.and Technology Taiyuan University of TechnologyTaiyuan 030024China

Carbazole is an irreplaceable basic organic chemical raw material and intermediate in industry.The separation of carbazole from anthracene oil by environmental benign solvents is important but still a challenge in chemical engineering.Deep eutectic solvents (DESs) as a sustainable green separation solvent have been proposed for the separation of carbazole from model anthracene oil.In this research,three quaternary ammonium-based DESs were prepared using ethylene glycol (EG) as hydrogen bond donor and tetrabutylammonium chloride (TBAC),tetrabutylammonium bromide or choline chloride as hydrogen bond acceptors.To explore their extraction performance of carbazole,the conductor-like screening model for real solvents (COSMO-RS) model was used to predict the activity coefficient at infinite dilution (γ^(∞)) of carbazole in DESs,and the result indicated TBAC:EG (1:2) had the stronger extraction ability for carbazole due to the higher capacity at infinite dilution (C^(∞)) value.Then,the separation performance of these three DESs was evaluated by experiments,and the experimental results were in good agreement with the COSMO-RS prediction results.The TBAC:EG (1:2) was determined as the most promising solvent.Additionally,the extraction conditions of TBAC:EG (1:2) were optimized,and the extraction efficiency,distribution coefficient and selectivity of carbazole could reach up to 85.74%,30.18 and 66.10%,respectively.Moreover,the TBAC:EG (1:2) could be recycled by using environmentally friendly water as antisolvent.In addition,the separation performance of TBAC:EG (1:2) was also evaluated by real crude anthracene,the carbazole was obtained with purity and yield of 85.32%,60.27%,respectively.Lastly,the extraction mechanism was elucidated byσ-profiles and interaction energy analysis.Theoretical calculation results showed that the main driving force for the extraction process was the hydrogen bonding ((N–H...Cl) and van der Waals interactions (C–H...O and C–H...π),which corresponding to the blue and green isosurfaces in IGMH anal

关键词： Carbazole Model anthracene oil Deep eutectic solvents COSMO-RS Extraction mechanism

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Boosting kinetic separation of ethylene and ethane on microporous materials via crystal size control

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Chinese Journal of chemical engineering 2024年第1期65卷 85-91页

作者： Yixuan Ma Cong Yu Lifeng Yang Rimin You Yawen Bo Qihan Gong Huabin Xing Xili Cui Key Laboratory of Biomass chemical engineering.of Ministry of Education College of Chemical and Biological EngineeringZhejiang UniversityHangzhou 310012China Fundamental Science&advanced Technology Lab PetroChina Petrochemical Research InstituteChina National Petroleum CorporationBeijing 102200China ZJU-Hangzhou Global Scientific and Technological Innovation Center Zhejiang UniversityHangzhou 311200China shanxi-zheda institute of advanced materials and chemical engineering Hangzhou 310027China

The adsorptive separation of C_(2)H_(4)and C_(2)H_(6),as an alternative to distillation units consuming high energy,is a promising yet challenging research.The great similarity in the molecular size of C_(2)H_(4)and C_(2)H_(6)brings challenges to the regulation of adsorbents to realize efficient dynamic separation.Herein,we reported the enhancement of the kinetic separation of C_(2)H_(4)/C_(2)H_(6)by controlling the crystal size of ZnAtzPO_(4)(Atz=3-amino-1,2,4-triazole)to amplify the diffusion difference of C_(2)H_(4)and C_(2)H_(6).Through adjusting the synthesis temperature,reactant concentration,and ligands/metal ions molar ratio,ZnAtzPO4 crystals with different sizes were obtained.Both single-component kinetic adsorption tests and binary-component dynamic breakthrough experiments confirmed the enhancement of the dynamic separation of C_(2)H_(4)/C_(2)H_(6)with the increase in the crystal size of ZnAtzPO_(4).The separation selectivity of C_(2)H_(4)/C_(2)H_(6)increased from 1.3 to 98.5 with the increase in the crystal size of ZnAtzPO_(4).This work demonstrated the role of morphology and size control of adsorbent crystals in the improvement of the C_(2)H_(4)/C_(2)H_(6)kinetic separation performance.

关键词： Adsorption Adsorbent Ethylene Binary mixture Crystal size control Kinetic separation

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3D bioprinting of in vitro porous hepatoma models:establishment,evaluation,and anticancer drug testing

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Bio-Design and Manufacturing 2024年第2期7卷 137-152页

作者： Xiaoyuan Wang Zixian Liu Qianqian Duan Boye Zhang Yanyan Cao Zhizhong Shen Meng Li Yanfeng Xi Jianming Wang Shengbo Sang shanxi Key Laboratory of Micro Nano Sensors and Artificial Intelligence Perception College of Electronic Information and Optical EngineeringTaiyuan University of TechnologyTaiyuan 030024China Key Lab of advanced Transducers and Intelligent Control System of the Ministry of Education Taiyuan University of TechnologyTaiyuan 030024China shanxi institute of 6D Artificial Intelligence Biomedical Science Taiyuan 030031China shanxi-zheda institute of advanced materials and chemical engineering Taiyuan 030024China Department of Pathology Shanxi Provincial Cancer HospitalTaiyuan 030024China General Hospital of Taiyuan Iron and Steel Company Taiyuan 030809China

Traditional tumor models do not tend to accurately simulate tumor growth in vitro or enable personalized treatment and are particularly unable to discover more beneficial targeted drugs.To address this,this study describes the use of threedimensional(3D)bioprinting technology to construct a 3D model with human hepatocarcinoma SMMC-7721 cells(3DP-7721)by combining gelatin methacrylate(GelMA)and poly(ethylene oxide)(PEO)as two immiscible aqueous phases to form a bioink and innovatively applying fluorescent carbon quantum dots for long-term tracking of cells.The GelMA(10%,mass fraction)and PEO(1.6%,mass fraction)hydrogel with 3:1 volume ratio offered distinct pore-forming characteristics,satisfactorymechanical properties,and biocompatibility for the creation of the 3DP-7721 model.Immunofluorescence analysis and quantitative real-time fluorescence polymerase chain reaction(PCR)were used to evaluate the biological properties of the model.Compared with the two-dimensional culture cell model(2D-7721)and the 3D mixed culture cell model(3DM-7721),3DP-7721 significantly improved the proliferation of cells and expression of tumor-related proteins and genes.Moreover,we evaluated the differences between the three culture models and the effectiveness of antitumor drugs in the three models and discovered that the efficacy of antitumor drugs varied because of significant differences in resistance proteins and genes between the three models.In addition,the comparison of tumor formation in the three models found that the cells cultured by the 3DP-7721 model had strong tumorigenicity in nude mice.Immunohistochemical evaluation of the levels of biochemical indicators related to the formation of solid tumors showed that the 3DP-7721 model group exhibited pathological characteristics of malignant tumors,the generated solid tumors were similar to actual tumors,and the deterioration was higher.This research therefore acts as a foundation for the application of 3DP-7721 models in drug development research.

关键词： 3D bioprinting Hepatoma tumor models Drug screening Antitumor drug development

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Energy-absorbing porous materials:Bioinspired architecture and fabrication

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Nano Research 2024年第2期17卷 679-690页

作者： Junheng Zhao Meng Li Jiewei Chen Weiwei Gao Hao Bai State Key Laboratory of chemical engineering College of Chemical and Biological EngineeringZhejiang UniversityHangzhou 310058China Department of Polymer Science and engineering Zhejiang UniversityHangzhou 310058China

Energy-absorbing materials are widely used in transportations,sports,and the military applications.Particularly,porous materials,including natural and artificial materials,have attracted tremendous attentions due to their light weight and excellent energy absorption capability.This review summarizes the recent progresses in the natural and artificial energy-absorbing porous materials.First,we review the typical natural porous materials including cuttlebone,bighorn sheep horn,pomelo peel,and sunflower stem pith.The architectures,energy absorption abilities,and mechanisms of these typical natural materials and their bioinspired materials are summarized.Then,we provide a review on the fabrication methods of artificial energy-absorbing porous materials,such as conventional foaming and three-dimensional(3D)printing.Finally,we address the challenges and prospects for the future development of energy-absorbing porous materials.More importantly,our review provides a direct guidance for the design and fabrication of energy-absorbing porous materials required for various engineering.applications.

关键词： energy-absorbing porous materials natural materials natural structures bioinspired materials

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Nucleus-targeting orange-emissive carbon dots delivery adriamycin for enhanced anti-liver cancer therapy

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Chinese chemical Letters 2024年第6期35卷 421-426页

作者： Qiang Li Jiangbo Fan Hongkai Mu Lin Chen Yongzhen Yang Shiping Yu The Second Hospital of shanxi Medical University Taiyuan 030001China shanxi Medical University Taiyuan 030001China Key Laboratory of Interface Science and engineering.in advanced materials Ministry of EducationTaiyuan University of TechnologyTaiyuan 030024China shanxi-zheda institute of advanced materials and chemical engineering Taiyuan 030032China

Carbon dots(CDs)with precise targeting function show great potential in the field of drug delivery therapeutics.In this study,the functionalized nucleus-targeting orange-emissive CDs with nuclear localization sequence(NLS)were loaded with adriamycin(DOX)to obtain a nucleus-targeting orange-emissive CDs drug delivery system(CDs-NLS-DOX),which delivered DOX to tumor cell nuclei to enhance its anti-tumor activity.The drug carrier orange-emissive CDs showed excitation-independent behavior,stable and enhanced imaging capability and good biocompatibility in vitro and in vivo.Meanwhile,the CDs-NLS could target the nuclei efficiently,and the CDs-NLS-DOX complexes had a high drug loading rate(59.4%)after loading DOX,exhibiting p H-dependent DOX release behavior through breaking acylhydrazone bond in a weak acidic environment.In addition,the CDs-NLS-DOX complexes exhibited an enhanced killing activity against human hepatoma cells(HepG2).The in vivo therapeutic effects on HepG2 nude mice transplanted tumors indicated the CDs-NLS-DOX had a stronger ability to inhibit tumor growth compared to free DOX.In short,CDs-NLS-DOX is expected to be a precise and efficient nucleus-targeting nano-drug delivery system for tumor treatment.

关键词： Carbon dots Nucleus-targeting Adriamycin Drug delivery system Liver cancer therapy

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A comprehensive review on surface modifications of black phosphorus using biological macromolecules

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Frontiers of materials Science 2024年第2期18卷 37-59页

作者： Chaiqiong Guo Xuhong He Xuanyu Liu Yuhui Wang Yan Wei Ziwei Liang Di Huang Department of Biomedical engineering Research Center for Nano-biomaterials&Regenerative MedicineCollege of Biomedical EngineeringTaiyuan University of TechnologyTaiyuan 030024China shanxi-zheda institute of advanced materials and chemical engineering Taiyuan 030032China

Black phosphorus(BP),a novel two dimensional material,exhibits remarkable photoelectric characteristics,ultrahigh photothermal conversion efficiency,substantial specific surface area,high carrier mobility,and tunable band gap properties.These attributes have positioned it as a promising candidate in domains such as energy,medicine,and the environment.Nonetheless,its vulnerability to light,oxygen,and water can lead to rapid degradation and loss of crystallinity,thereby limiting its synthesis,preservation,and application.Moreover,BP has demonstrated cytotoxic tendencies,substantially constraining its viability in the realm of biomedicine.Consequently,the imperative for surface modification arises to bolster its stability and biocompatibility,while concurrently expanding its utility spectrum.Biological macromolecules,integral components of living organisms,proffer innate advantages over chemical agents and polymers for the purpose of the BP modifications.This review comprehensively surveys the advancements in utilizing biological macromolecules for the modifications of BP.In doing so,it aims to pave the way for enhanced stability,biocompatibility,and diversified applications of this material.

关键词： blackphosphorus tumor therapy biocompatibility surface modification biomacromolecule

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Lead-free perovskite Cs_(2)AgBiBr_(6)photodetector detecting NIR light driven by titanium nitride plasmonic hot holes

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Photonics Research 2024年第3期12卷 522-533页

作者： ZIJIAN LIU YUYING XI WENBO ZENG TING JI WENYAN WANG SITONG GUO LINLIN SHI RONG WEN YANXIA CUI GUOHUI LI College of Physics College of Electronic Information and Optical EngineeringKey Laboratory of Advanced Transducers and Intelligent Control System of Ministry of EducationTaiyuan University of TechnologyTaiyuan 030024China shanxi-zheda institute of advanced materials and chemical engineering Taiyuan 030032China

Lead-free perovskite Cs_(2)AgBiBr_(6)manifests great potential in developing high-performance,environmentally friendly,solution-processable photodetectors(PDs).However,due to the relatively large energy bandgap,the spectrum responses of Cs_(2)AgBiBr_(6)PDs are limited to the ultraviolet and visible region with wavelengths shorter than 560 nm.In this work,a broadband Cs_(2)AgBiBr_(6)PD covering the ultraviolet,visible,and near infrared(NIR)range is demonstrated by incorporating titanium nitride(TiN)nanoparticles that are prepared with the assistance of self-assembled polystyrene sphere array.In addition,an atomically thick Al2O3layer is introduced at the interface between the Cs_(2)AgBiBr_(6)film and TiN nanoparticles to alleviate the dark current deterioration caused by nanoparticle incorporation.As a result,beyond the spectrum range where Cs_(2)AgBiBr_(6)absorbs light,the external quantum efficiency(EQE)of the TiN nanoparticle incorporated Cs_(2)AgBiBr_(6)PD is enhanced significantly compared with that of the control,displaying enhancement factors as high as 2000 over a broadband NIR wavelength range.The demonstrated enhancement in EQE arises from the photocurrent contribution of plasmonic hot holes injected from TiN nanoparticles into Cs_(2)AgBiBr_(6).This work promotes the development of broadband solution-processable perovskite PDs,providing a promising strategy for realizing photodetection in the NIR region.

关键词： perovskite titanium ultraviolet

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Flower-like Fe-doped NiSe_(2)/C hybrid spheres fabricated by a glucose-intercalation strategy for enhanced sodium storage proper

ChemPhysMater

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ChemPhysMater 2024年第2期3卷 220-229页

作者： Cheng Liu Yi Wen Gaoya Ren Yaxuan Li Qianqian Sun Shenghui Shen Zhujun Yao Yefeng Yang School of materials Science and engineering Zhejiang Sci-Tech UniversityHangzhou 310018China Instute of Wenzhou Zhejiang UniversityWenzhou 325036China

Nickel diselenide(NiSe_(2)),which has a high theoretical capacity,has attracted considerable attention as a promis-ing anode material for sodium-ion batteries(SIBs).Nevertheless,the intrinsically low conductivity,large volume variation,and significant aggregation of NiSe_(2)during sodiation/desodiation remain significant obstacles to its application.Herein,we report flower-like Fe-doped NiSe_(2)/C hybrid spheres(denoted as Fe-NiSe_(2)/C)fabricated by a glucose intercalation strategy for efficient sodium storage.These Fe-NiSe_(2)/C hybrid spheres are composed of thin porous carbon nanosheets decorated with Fe-NiSe_(2)nanoparticles.In situ introduced carbon nanosheets derived from intercalated glucose accompanied by moderate Fe doping in NiSe2 nanoparticles can provide ac-celerated ion/electron transfer kinetics through fast ion channels in the flower-like architecture and intimately contacted interfaces between NiSe_(2)and carbon nanosheets as well as maintain structural integrity by alleviating volume variation.Consequently,the optimal anode of the Fe-NiSe_(2)/C hybrid spheres delivered a high discharge capacity of 415 mAh g^(-1)at 0.5 A g^(-1),outstanding rate capability(243 mAh g^(-1)at 5 A g^(-1)),and significantly enhanced cycling stability(388 mAh g^(-1)at 1 A g^(-1)over 200 cycles).This work offers an efficient and valu-able strategy for realizing tailored heteroatom doping in transition metal selenides,accompanied by an in situ combination of conductive carbonaceous networks for advanced alkali metal ion batteries.

关键词： Glucose-intercalation Fe-doped NiSe_(2) Carbon nanosheets Sodium-ionbatteries

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Stability analysis of longwall top-coal caving face in extra-thick coal seams based on an innovative numerical hydraulic support model

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International Journal of Mining Science and Technology 2024年第4期34卷 491-505页

作者： Jun Guo Wenbo Huang Guorui Feng Jinwen Bai Lirong Li Zi Wang Luyang Yu Xiaoze Wen Jie Zhang Wenming Feng College of Mining engineering Taiyuan University of TechnologyTaiyuan 030024China Key Laboratory of shanxi Province for Mine Rock Strata Control and Disaster Prevention Taiyuan University of TechnologyTaiyuan 030024China shanxi Coking Coal Group Co. Ltd.Taiyuan 030024China shanxi-zheda institute of advanced materials and chemical engineering Taiyuan 030024China

The relationship between support and surrounding rock is of great significance to the control of surrounding rock in mining process.In view of the fact that most of the existing numerical simulation methods construct virtual elements and stress servo control to approximately replace the hydraulic support problem,this paper establishes a new numerical model of hydraulic support with the same working characteristics as the actual hydraulic support by integrating numerical simulation software Rhino,Griddle and FLAC3D,which can realize the simulation of different working conditions.Based on this model,the influence mechanism of the supporting strength of hydraulic support on surrounding rock stress regulation and coal stability in front of the top coal caving face in extra thick coal seam were researched.Firstly,under different support intensity,the abutment pressure of the bearing coal and the coal in front of it presents the “three-stage”evolution characteristics.The influence range of support intensity is 15%–30%.Secondly,1.5 MPa is the upper limit of impact that the support strength can have on the front coal failure area.Thirdly,within a displacement range of 2.76 m from the coal wall,a support strength of1.5 MPa provides optimal control of the horizontal displacement of the coal.

关键词： Extremely thick coal seam Fully mechanized top coal caving Support strength Support-surrounding rock interaction

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