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Dual modification of LiNi0.83Co0.11Mn0.06O2 cathode materials by K+ doping and Li3PO4 coating for lithium ions batteries

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Rare Metals 2024年第7期43卷 3007-3018页

作者： Wei Xiao Jia-Le Wang Zhi-Cheng Yi Cheng-Jin Liu Chang Miao Yu Xin Shu-Qing Nie college of chemistry and Environmental engineering Yangtze University

Li3PO4@Li0.99K0.01Ni0.83Co0.11MnO.06O2（NCM-KP） cathode powders are synthesized via K+doping in calcination processes and H3PO4coating in sol-gel processes.K+precisely enters into the lattice to widen the（003） plane to 0.4746 nm with a lower cationic disordered degree of 1.87%.Moreover,the surface residual lithium salts are treated by H3PO4to generate a uniform Li3PO4coating layer of approximately 11.41 nm,which completely covers on the surface of secondary spherical particles to improve the interfacial *** 25℃,the NCM-KP electrode delivers a discharge specific capacity of 148.9 mAh·g-1with a remarkable capacity retention ratio of 84.1% after 200 cycles at 1.0C and retains a high reversible specific capacity of 154.4 mAh·g-1at *** at 1.0C and 60℃,it can maintain a reversible discharge specific capacity of 114.6 mAh·g-1with 0.21% of capacity decay per cycle after 200 cycles,which is significantly lower than 0.40% for the pristine NCM ***,the charge transfer resistance of 238.89 Ω for the NCM-KP electrode is significantly lower than 947.41 Ω for the pristine NCM one by restricting the interfacial side ***,combining K+doping and Li3PO4coating is an effective strategy to enable the significant improvement of the electrochemical property of high-nickel cathode materials,which may be mainly attributed to the widened diffusion pathway and the formed Li3PO4protective layer,thus promoting Li+diffusion rate and preventing the erosion of HF.

关键词： High-nickel cathode material Residual lithium K + doping Li 3 PO 4 coating Lithium ions battery

Surface engineering of Li-and Mn-rich layered oxides for superior Li-ion battery

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Tungsten 2024年第1期6卷 259-268页

作者： Lu-Xiang Ma Tian-Dong Chen Chun-Xi Hai Sheng-De Dong Xin He Qi Xu Hang Feng AXin Ji-Tao Chen Yuan Zhou college of Materials and chemistry and Chemical engineering Chengdu University of TechnologyChendu 610000China Qinghai Building and Materials Research Co. LtdXining 810000China Beijing National Laboratory for molecular Sciences College of Chemistry and Molecular EngineeringPeking UniversityBeijing 100871China

The Li-and Mn-rich layered oxides(R-LNCM)are considered as promising cathode materials for high-energy density lithium-ion batteries(LIBs).However,the interface side reaction aggravates the voltage and capacity fading between cathode material and electrolyte at high voltage,which severely hinders the practical application of LIB ***,lithium polyacrylate(LiPAA)as the binder and coating agent is applied to suppress the voltage and capacity fading of R-LNCM *** flexible LiPAA layers with high elasticity are capable of impeding cathode cracks on the particle surface via mechanical stress ***,superior voltage and capacity fading suppression on R-LNCM electrode is finally *** a result,LiPAA-R-LNCM cathode exhibits a remarkable specific capacity of 186 mA·h·g^(-1)with~73%retention at 1℃after ***,the corresponding average discharge potential is maintained to~3.1 V with only~0.4 V falling.

关键词： LiPAA interphase layer Interface side reaction Cathode cracks Capacity and voltage fading suppression Liand Mn-rich cathode

Multidimensional coupled structure-activity relationship models for replacement of SF_(6)

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High Voltage 2024年第2期9卷 484-494页

作者： Mi Zhang Hua Hou Baoshan Wang college of chemistry and molecular Sciences Wuhan UniversityWuhanChina

Computational screening of single gases to replace SF_(6)for electrical insulation has been challenged by the difficulty in combining various mutually exclusive properties especially for dielectric performance with liquefaction and environmental *** reveal the inherent correlations between dielectric strength(Er),boiling point(Tb),and global warming potential(GWP)of dielectric materials,a coupled structure-activity relationship(CSAR)model has been proposed for the first *** means of the generic descriptors,as deduced from the electrostatic potentials,and the specific descriptors,as introduced from the respective microscopic mechanisms,the complex interdependence between Er,Tb,and GWP of the insulation gases is quantitatively characterised by the 3-D coupling *** coupling mechanism for the right balance of properties is uncovered in terms of the first-principle *** CSAR model outperforms the previous SAR models in predicting Er,Tb,and GWP simultaneously in a self-consistent *** importantly,the concept of CSAR could be extended readily to any multidimensional macroscopic *** replacement compounds have been identified tentatively to be the promising candidates to replace SF_(6)using the CSAR model.

关键词： properties. dielectric insulation

Thiazoloisoindigo-based Polymer Semiconductors: Synthesis,Structure-Property Relationship, Charge Carrier Polarity, and Field-Effect Transistor Performance

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Chinese Journal of Polymer Science 2024年第1期42卷 24-31,I0006页

作者： Bo-Wen Li Miao Xiong Mei-Hua Liu Zhi-Gao Li Long Sang Zi-Han Xiong Biao Xiao Jian Pei Xiao-Bo Wan Key Laboratory of Optoelectronic Chemical Materials and Devices Ministry of EducationSchoolofOptoelectronic Materials&TechnologyJianghan UniversityWuhan430056China Bejing National Laboratoryfor molecular Sciences the Key Laboratory of Bioorganic Chemistry and Molecular Engineering of Ministry of EducationCollege of Chemistry and Molecular EngineeringPeking UniversityBeijing 100871China

Developing new polymeric semiconductors with excellent device performance is essential for organic electronics. Herein, we synthesized two new thiazoloisoindigo(Tz II)-based polymers, namely, P(Tz II-d Th-d Th) and P(Tz II-d Th-d Tz), by copolymerizing thiophene-flanked Tz II with bithiophene and bithiazole, respectively. Owing to the more electron-deficient nature of bithiazole than bithiophene, P(Tz II-d Th-d Tz)possesses deeper LUMO/HOMO levels of-3.45/-5.47 e V than P(Tz II-d Th-d Th)(-3.34/-5.32 e V). The organic field-effect transistor(OFET) devices based on P(Tz II-d Th-d Th) exhibited p-type behaviors with an average hole mobility value as high as 1.43 cm^(2)·V^(-1)·s^(-1), while P(Tz II-d Th-d Tz)showed typical ambipolar characteristics with average hole and electron mobilities of 0.38 and 0.56 cm^(2)·V^(-1)·s^(-1). In addition, we compared the performances of both polymers with other Tz II-based polymers reported in our previous work, and showed that the charge carrier polarity can be manipulated by adjusting the number of the thiophene units between the acceptor unit. As the increase of the number of thiophene rings,charge carrier polarity shifts from electron-dominated ambipolar transport to hole-dominated ambipolar transport and then to unipolar hole transport in OFETs, which provides an effective molecular design strategy for further optimization of polymer OFET performance.

关键词： Field-effect transistor Charge carrier polarity Thiazoloisoindigo

General radical difluoromethylation using difluoroacetic anhydride via photoredox catalysis

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Science China chemistry 2024年第8期67卷 2637-2646页

作者： Meng He Yankai Yang Heng Zhang Zhipeng Guan Zhi-Bing Dong Hong Yi Aiwen Lei School of chemistry and Environmental engineering Wuhan Institute of TechnologyWuhan 430205China college of chemistry and molecular Sciences and Institute for Advanced Studies(IAS) Wuhan UniversityWuhan 430072China

CF_(2)H-containing molecules play pivotal roles in diverse fields from medicinal chemistry to materials science. However, the application of existing CF_(2)H reagents as a source of CF_(2)H radical is limited by their reactivity and preparation. Herein, we develop a simple and general visible-light-catalyzed radical difluoromethylation reaction of alkenes, dienes, and heteroaromatics using commercially available, easy-to-handle, and low-cost difluoroacetic anhydride as the CF_(2)H reagent. This scalable protocol enables the convenient synthesis of a range of CF_(2)H-containing compounds under mild conditions, exhibiting a broad substrate scope and functional group tolerance. Potential applications are further demonstrated by gram-scale synthesis, sunlight experiments, derivatization experiments as well as the synthesis of bioactive molecules.

关键词： radical difluoromethylation alkenes/dienes/heteroaromatics difluoroacetic anhydride photoredox

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Hydrogen Bonds in Perovskite for Efficient and Stable Photovoltaic

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Chinese Journal of chemistry 2024年第11期42卷 1284-1306页

作者： Tian-yun Wang Yang-yang Hao Ming-zhe Zhu Guo-rui Cao Zhong-min Zhou college of chemistry and molecular engineering Qingdao University of Science and TechnologyQingdaoShandong266042 China college of Chemical engineering Qingdao University of Science and TechnologyQingdaoShandong266042 China

Owing to their distinctive optical and physical properties,organic-inorganic hybrid perovskite materials have gained significant attention in the field of electronic devices,especially solar *** achievement of high-performance solar cells hinges upon the utilization of top-notch perovskite thin ***,the fabrication process involving solutions and the polycrystalline nature of perovskite result in the emergence of numerous defects within the perovskite films,consequently exerting a deleterious influence on the overall performance and stability of the *** the performance and stability of perovskite solar cells by additive engineering to suppress/passivate defects is a viable approach,which involves hydrogen bond interactions in these device engineering *** review explores the intrinsic hydrogen bonds in methylammonium and formamidium lead triiodide,while also considering cation rotations,phase transitions,and ***,the review classifies additives into distinct categories,including organic small molecules,polymers,nanodots,classical salts,ionic liquids,and molten *** various forms and characterization techniques of hydrogen bonds are discussed,as well as their potential synergistic effects in conjunction with other chemical ***,this review offers insights into the potential utilization of hydrogen bonds to further enhance the performance and stability of devices.

关键词： Perovskite solar cells Hydrogen bond Additive Performance Stability Charge transfer Inhibition Cooperative effects

Heteroatom doping regulates the catalytic performance of singleatom catalyst supported on graphene for ORR

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Nano Research 2024年第3期17卷 1086-1093页

作者： Ji-Kai Sun Yu-Wei Pan Meng-Qian Xu Lei Sun Shaolong Zhang Wei-Qiao Deng Dong Zhai Institute of molecular Sciences and engineering Institute of Frontier and Interdisciplinary ScienceShandong UniversityQingdao 266237China college of chemistry and Environmental engineering Shenzhen UniversityShenzhen 518060China

Replacing fossil fuels with fuel cells is a feasible way to reduce global energy shortages and environmental ***,the oxygen reduction reaction(ORR)at the cathode has sluggish kinetics,which limits the development of fuel *** is significant to develop catalysts with high catalytic activity of *** single-atom catalysts(SACs)of Pt supported on heteroatom-doped graphene are potential candidates for *** we studied the SACs of Pt with different heteroatoms doping and screened out Pt-C_(4) and Pt-C_(3)O_(1) structures with only 0.13 V overpotential for ***,it is found that B atoms doping could weaken the adsorption capacity of Pt,while N or O atoms doping could enhance *** regularity was verified on Fe *** the electronic interaction analysis between Pt and adsorbate,we explained the mechanism of this regularity and further proposed a new descriptor named corrected d-band center(ε_(d-corr))to describe *** descriptor is an appropriate reflection of the number of free electrons of the SACs,which could evaluate its adsorption *** work provides a purposeful regulatory strategy for the design of ORR catalysts.

关键词： single-atom catalyst(SAC) oxygen reduction reaction(ORR) heteroatom doping corrected d-band center descriptor

Colorimetric and Photothermal Dual-modal Visual Detection of Iodide Ion Based on G-Quadruplex-Hemin Cascade Signal Amplification

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Chemical Research in Chinese Universities 2024年第2期40卷 305-310页

作者： CHEN Yanyue LIU Jiali LIU Jiawen HU Rong YANG Yunhui ZHANG Xiaobing college of chemistry and Chemical engineering Yunnan Normal UniversityKunming650500P.R.China molecular Science and Biomedicine Laboratory State Key Laboratory of Chemo/Biosensing and ChemometricsCollege of Chemistry and Chemical EngineeringCollaborative Innovation Center for Molecular Engineering for TheronasticsHunan UniversityChangsha410082P.R.China

The insufficient internal resorption of iodide ions(I−)leads to thyroid disorders,such as goiter,hypothyroidism,and cretinism in *** this paper,a portable point-of-care testing(POCT)platform was developed for the dual-modal analysis of I^(−),seamlessly integrating both colorimetric and photothermal thermometer *** quantification of results was achieved using a standard thermometer or smartphone.G-Quadruplex/Hemin(G4/Hemin)is the DNAzyme with peroxidase-like *** catalytic efficacy of G-quadruplex structures can be enhanced with the help of I^(−),manifesting as multicolor transitions from colorless to green and then blue,and accompanied by the increase of temperature,which can be used for the quantitative detection of I^(−).Additionally,digital analysis according to the three-color channels(R/G/B)by a cellphone eliminated the requirement for intricate *** dual-modal method for portable I^(−)determination is cost-effectiveness,simplicity,remarkable sensitivity(0.5 nmol/L)and ***,it was applied to determining the concentration of I^(−)in spiked serum samples.

关键词： Dual-modal platform G-Quadruplex Iodide ion Point-of-care testing(POCT) Aptasensor

Light-induced stepped thermal relaxation in a Hofmann-type metal-organic framework

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Science China chemistry 2024年第6期67卷 1983-1989页

作者： Wen Cui Wei-Wei Wu Ze-Yu Ruan Yan-Cong Chen Guang-Jun Zeng Guan-Xi Chen Si-Guo Wu Zhao-Ping Ni Ming-Liang Tong Key Laboratory of Bioinorganic and Synthetic chemistry of Ministry of Education School of ChemistryInstitute of Green Chemistry and Molecular EngineeringGuangdong Basic Research Center of Excellence for Functional Molecular EngineeringSun Yat-sen UniversityGuangzhou510275China

Spin-crossover(SCO)materials with light-induced multistability have potential applications in multi-addressable opto-magnetic memory devices and multiple ***,we reported a three-dimensional Hofmann-type metal-organic framework(MOF)[Fe(bpy){Pt(CN)_(4)}]·coumarin(1·coumarin,bpy=4,4′-bipyridine),which exhibits an incomplete and hysteretic SCO *** importantly,the light-induced stepped thermal relaxation(LISTR)with obvious magnetic plateau for a hidden intermediate spin state is firstly *** hidden spin state is also observed for the first time in the thermal relaxation after light-assisted spin state annealing(LASSA).Meanwhile,an extremely rare bi-directional light-induced excited spin-state trapping(LIESST)with the highest reverse-LIESST temperature is ***,five spin states can be captured in 1·coumarin and the tristability can be modulated below 102 K through the excitation-relaxation ***,the light-and temperatureinduced multistability provides a new strategy for developing multistable materials.

关键词： light magnetic multistability iron metal-organic framework spin-crossover

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