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Highly efficient through-space charge transfer TADF molecule employed in TADF-and TADF-sensitized organic light-emitting diodes

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Science China Chemistry 2024年第4期67卷 1270-1276页

作者： Jiasen Zhang Deli Li Wei Li Yujie Wu Xilin Mu Chunyu Liu Kaibo Fang Ziyi Ge Zhejiang Provincial Engineering Research center of energy Optoelectronic materials and Devices Ningbo Institute of Materials Technology and EngineeringChinese Academy of SciencesNingbo 315201China center of materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing 100049China State Key Laboratory of Luminescent materials and Devices and Institute of Polymer Optoelectronic materials and Devices South China University of TechnologyGuangzhou 510640China

The inception and harnessing of excitons are paramount for the electroluminescence performance of organic light-emitting devices(OLEDs).Through-space charge transfer(TSCT)via intramolecular interaction has proved to be one of the most potent techniques employed to achieve 100% internal quantum ***,molecular strategies utilized to comprehensively enhance the electroluminescent performance of TSCT emitters regarding improving the photoluminescence quantum yield(PLQY)and elevating the light out-coupling efficiency remain *** surmount this challenge,we deliberately designed and synthesized a proof-of-concept TSCT emitter called CzO-TRZ by incorporating an extra carbazole donor into spiroheterocyclic *** introduction of rigid spiral fragments can immensely boost the horizontal orientation dipole ratio and establish an extra through-bond charge transfer(TBCT)radiative decay *** a result,a very high PLQY of 98.7%,fast kRISCof 2.2×10^(5)s^(-1)and high k_(r)^(s) of 2.2×10^(7)s^(-1),and an ultrahigh horizontal dipolar ratio of 90%were concurrently achieved for Cz O-TRZ blended ***,corresponding thermally activated delayed fluorescence(TADF)-and TADF-sensitized fluorescence(TSF)-OLEDs based on CzO-TRZ demonstrated external quantum efficiencies(EQEs)of 33.4% and 30.3%,respectively,highlighting its versatile applications as both an emitter and sensitized host.

关键词： organic electronics organic light-emitting diodes polycyclic aromatic hydrocarbons multiple-resonance

Experimental and computational optimization of Prussian blue analogues as high-performance cathodes for sodium-ion batteries:A review

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Journal of energy Chemistry 2024年第6期93卷 627-662,I0015页

作者： Gwangeon Oh Junghoon Kim Shivam Kansara Hyokyeong Kang Hun-Gi Jung Yang-Kook Sun Jang-Yeon Hwang Department of energy Engineering Hanyang UniversitySeoul 04763Republic of Korea energy storage Research center Clean Energy Research DivisionKorea Institute of Science and TechnologySeoul 02792Republic of Korea Department of energy Science Sungkyunkwan UniversitySuwon 16419Republic of Korea KIST-SKKU Carbon-Neutral Research center Sungkyunkwan UniversitySuwon 16419Republic of Korea Department of Battery Engineering Hanyang UniversitySeoul 04763Republic of Korea

In this review,we discuss the electrochemical properties of Prussian blue(PB)for Na^(+)storage by combining structural engineering and electrolyte *** integrated experimental data and density functional theory(DFT)in sodium-ion battery(SIB)research to refine the atomic arrangements and crystal lattices and introduce substitutions and *** changes affect the lattice stability,intercalation,electronic and ionic conductivities,and electrochemical *** unraveled the intricate structure-electrochemical behavior relationship by combining experimental data with computational models,including first-principles *** holistic approach identified techniques for optimizing PB and Prussian blue analog(PBA)structu ral properties for *** also discuss the tuning of electrolytes by systematically adjusting their composition,concentration,and additives using a combination of molecular dynamics(MD)simulations and DFT *** review offers a comprehensive assessment of strategies for enhancing the electrochemical properties of PB and PBAs through structural engineering and electrolyte modifications,combining experimental insights with advanced computational simulations,and paving the way for next-generation energy storage systems.

关键词： Prussian blue analogs(PBAs) Sodium ion batteries(SIBs) Structural engineering Electrolyte modifications Experiments Density functional theory(DFT)

Coordination structure regulation in non-flammable electrolyte enabling high voltage lithium electrochemistry

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Journal of energy Chemistry 2024年第9期96卷 282-290页

作者： Zhiwen Deng Ye Jia Yan Deng Changhaoyue Xu Xuemei Zhang Qiujie He Jianan Peng Hao Wu Wenlong Cai College of materials Science and Engineering Sichuan UniversityChengdu 610064SichuanChina Engineering Research center of Alternative energy materials and Devices Sichuan UniversityChengdu 610064SichuanChina

High-voltage battery systems bring significant increases in energy density but are also accompanied by fast degradation of electrochemical performance and serious safety ***,Li^(+)coordination structure regulation was conducted to formulate a non-flammable electrolyte,which consists of 1.5 M lithium bis(fluor sulfonyl)imide(LiFSI)in triethyl phosphate and methyl 2,2,2-trifluoromethyl carbonate(FEMC).The renamed TEP-FEMC-FEC(TFF)electrolyte exhibits an FSI^(−)-dominated solvation structure contributed by the weakly-solvating ability of *** generated inorganic-rich interfacial layers are conducive to stabilizing the phase transition of high-voltage cathodes while suppressing the dendritic growth on lithium metal or co-intercalation behavior in graphite *** TFF electrolyte enables LiCoO_(2)||Li batteries to achieve capacity maintenance over 79%after 400 cycles with high-rate of 5 C at an ultra-high voltage of 4.6 V,and an outstanding capacity exceeding 100 mA h g^(−1)even at a super-high current density of 20 ***,the Ah-level LiCoO_(2)||graphite pouch cells also exhibit high capacity retention and satisfactory safety performance even under fast *** work provides a novel research direction for the pursuit of high energy density non-flammable electrolytes.

关键词： Non-flammable Solvation structure High-voltage Lithium batteries

Water-oxidation intermediates enabling electrochemical propylene epoxidation

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Chinese Journal of Structural Chemistry 2024年第5期43卷 1-2页

作者： Yang Yang Jing-Li Luo Xian-Zhu Fu Shenzhen Key Laboratory of energy Electrocatalytic materials Guangdong Research Center for Interfacial Engineering of Functional MaterialsCollege of Materials Science and EngineeringShenzhen UniversityShenzhen518055China

In the production of propylene oxide(PO),reliance on hazardous chemical oxidants,such as molecular chlorine(Cl_(2))or peroxides,is a common practice.A promising alternative to current epoxidation methods involves a selective direct propylene epoxidation pathway utilizing water as the oxygen source through water-oxidation *** approach presents a robust substitute for existing epoxidation techniques.

关键词： propylene epoxidation intermediate

Photo-enhanced uranium recovery from spent fuel reprocessing wastewater via S-scheme 2D/0D C_(3)N_(5)/Fe_(2)O_(3) heterojunctions

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SusMat 2024年第2期4卷 41-50页

作者： Qi Meng Linzhen Wu Xiaoyong Yang Ying Xiong Fanpeng Kong Tao Duan State Key Laboratory of Environment-friendly energy materials NuclearWaste and Environmental Safety Key Laboratory of DefenseSouthwest University of Science and TechnologyMianyangSichuanChina MIIT Key Laboratory of Critical materials Technology for New energy Conversion and storage Harbin Institute of TechnologyHarbinHeilongjiangChina Department of materials Science and Engineering KTH Royal Institute of TechnologyStockholmSweden

Re-extracting environmentally transportable hexavalent uranium from wastew-ater produced by spent fuel reprocessing using the photocatalytic technology is a crucial strategy to avoid uranium pollution and recover nuclear fuel strategic ***,we have designed S-scheme 2D/0D C_(3)N_(5)/Fe_(2)O_(3)heterojunction photocatalysts based on the built-in electric field and the energy band bend-ing theory,and have further revealed the immobilization process of hexavalent uranium conversion into relatively insoluble tetravalent uranium in terms of thermodynamics and *** to the results,the hexavalent uranium removal and recovery ratios in wastewater are as high as 93.38%and 83.58%,***,C_(3)N_(5)/Fe_(2)O_(3)heterojunctions also exhibit satisfactory cat-alytic activity and selectivity even in the presence of excessive impurity cations(including Na^(+),K^(+),Ca^(^(2+)),Mg^(2+),Sr^(2+),and Eu^(3+))or various organics(such as xylene,tributylphosphate,pyridine,tannic acid,citric acid,and oxalic acid).It is believed that this work can provide a potential opportunity for S-scheme heterojunction photocatalysts to re-enrich uranium from spent fuel wastewater.

关键词： nuclear wastewater S-scheme heterostructure uranium recovery

Mechanical robust and self-healing flexible perovskite solar cells with efficiency exceeding 23%

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Science China Chemistry 2024年第8期67卷 2670-2678页

作者： Yaohua Wang Ruikun Cao Yuanyuan Meng Bin Han Ruijia Tian Xiaoyi Lu Zhenhua Song Shuncheng Yang Congda Lu Chang Liu Ziyi Ge College of Mechanical Engineering Zhejiang University of TechnologyHangzhou 310014China Zhejiang Provincial Engineering Research center of energy Optoelectronic materials and Devices Ningbo Institute of Materials TechnologyEngineeringChinese Academy of SciencesNingbo 315201China center of materials Science and Optoelectronics Engineering University of Chinese Academy of Sciences Beijing 100049China

Flexible perovskite solar cells(f-PSCs) have experienced rapid advancements due to the light-weight, flexibility, and solution processability of the perovskite materials, which prompted the power conversion efficiency(PCE) to 24.08%. However, f-PSCs still face challenges in terms of mechanical and environmental stability. This is primarily due to their inherent brittleness, the presence of residual tensile strain, and the high density of defects along the boundaries of perovskite grains. To this end, we carefully developed a cross-linkable elastomers 3-[(3-acrylamidopropyl)dimethylammonium] propanoate(ADP) with electrostatic dynamic bond, which could be in-situ cross-linked and coordinate with [Pb I6]4-to regulate the crystallization process of perovskite. The cross-linked elastomers attached to the perovskite grain boundaries could release the remaining tensile strains and mechanical stresses, leading to enhanced stability and flexibility of the f-PSCs. More importantly, the electrostatic interaction between positive and negative groups of cross-linked elastomers and hydrogen bond formation between N–H and C=O accelerate the cross-linking of ADP, endowing the flexible perovskite films with self-healing ability under mild treating conditions(60 °C for 30 min). As a result, the device achieves a remarkable PCE of 23.53%(certified 23.16%). Additionally, the device exhibits impressive mechanical sustainability and durability, retaining over 90% of initial PCE even after undergoing8,000 bending cycles.

关键词： Mechanical robust and self-healing flexible perovskite solar cells with efficiency exceeding 23

Highly-efficient CoRuO_(x)nanocatalysts for acidic oxygen evolution:The merit of optimum ordering degree of carbon nanotube support

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Particuology 2024年第7期90卷 470-477页

作者： Wenwen Li Yanni Wang Zhenzhen Zhao Meiqi Liu Qing Liang Yuhua Liu Fuxi Liu Zhou Jiang Xu Zou Bingsen Zhang Wei Zhang Key Laboratory of Automobile materials MOE School of Materials Science&EngineeringJilin Provincial International Cooperation Key Laboratory of High-Efficiency Clean Energy MaterialsElectron Microscopy CenterInternational Center of Future ScienceJilin UniversityChangchun 130012China Shenyang National Laboratory for materials Science Institute of Metal ResearchChinese Academy of Sciences110016ShenyangChina

Hydrogen production from proton exchange membrane water electrolysis is constrained by the sluggish kinetics of the anodic oxygen evolution ***_(2)has attracted considerable attention due to its low reaction overpotential,but its inferior stability remains a major ***,a strategy is proposed to enhance the catalytic activity and stability of CoRuOx nanoparticles by doping Co and regulating the ordering degree of carbon nanotubes(CNTs)by air *** was found that the CoRuOx@CNTs-300 catalyst exhibited the best catalytic activity and stability when the annealing temperature was 300°*** the current density of 10 mA cm−2,the overpotential of this catalyst was only 201 mV,which was nearly 100 mV lower than that of commercial RuO_(2)(300 mV).Surprisingly,there was no significant increase in the overpotential when tested at a current density of 10 mA cm−2 for 50 *** density functional theory calculations indicate that the high activity of the catalyst is due to the electronic coupling of CoRuOx nanoparticles and CNTs,and that the introduction of Co and CNTs improves the electronic structure and solvation energies of the Ru in the active site,dramatically increasing the structural stability.

关键词： Electrocatalysis RuO_(2) CNTs Oxygen evolution reaction

Photoinduced copper-catalyzed alkoxyl radical-triggered ring-expansion/aminocarbonylation cascade

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Chinese Chemical Letters 2024年第6期35卷 331-336页

作者： Jing-Qi Tao Shuai Liu Tian-Yu Zhang Hong Xin Xu Yang Xin-Hua Duan Li-Na Guo Department of Chemistry School of ChemistryXi’an Key Laboratory of Sustainable Energy Material Chemistry and Engineering Research Center of Energy Storage Materials and DevicesMinistry of EducationXi’an Jiaotong UniversityXi’an 710049China School of Electrical Engineering Xi’an Jiaotong UniversityXi’an 710049China State Key Laboratory of Applied Organic Chemistry Lanzhou UniversityLanzhou 730000China

A photoinduced copper-catalyzed alkoxyl triggered C-C bond cleavage/aminocarbonylation cascade is *** adjusting the structure of alkoxyl radical precursors,functionalized lactones and ketoamides were synthesized with good yields and excellent functional group tolerance under redox-neutral ***,this protocol enables the integration of lactone fragments with many amine drugs and drug fragments.

关键词： Copper catalysis Ring-expansion Aminocarbonylatioin Macrolactones Keto-amides

Regulating Melting Process in the energy storage of Solid-Liquid PCM based on Double MRT-LBM Simulation

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Journal of Thermal Science 2024年第5期33卷 1688-1700页

作者： CHEN Weiqi SONG Zhichao QUAN Dongliang HE Yurong School of energy Science&Engineering Harbin Institute of TechnologyHarbin 150001China Heilongjiang Key Laboratory of New energy storage materials and Processes Harbin 150001China Zhengzhou Research Institute of Harbin Institute of Technology Zhengzhou 450000China Innovation&Research Institute of Hiwing Technology Academy Beijing 100074China

The melting process of solid-liquid phase change materials(PCM)has a significant impact on their energy storage *** more effectively apply solid-liquid PCM for energy storage,it is crucial to study the regulation of melting process of solid-liquid PCM,which is numerically investigated based on double multiple relaxation time lattice Boltzmann method(MRT-LBM)in this *** this work we pay more attention to the effects of different Stefan numbers(Ste)and Rayleigh numbers(Ra)on the melting *** results indicate that the PCM melting is greatly influenced by the Ste number and Ra number,which can be divided into the heat conduction dominant stage and the convection dominant stage,according to the onset time of convection Fo_(C).In order to describe the contribution of the heat conduction dominant stage to the whole melting process quantitatively,we firstly propose the ratio of the heat conduction dominant stage R_(pc),which can be defined as the ratio of Fo_(C)to the complete melting time Fo_(M).R_(pc)gradually decreases as the Ra number increases,and when the Ste number rises:R_(pc)=90.0%when Ste=1.0 and Ra=1×10^(5),R_(pc)=39.6%when Ste=0.1 and Ra=1×10^(5),and R_(pc)=14.0%when Ste=1.0 and Ra=1×10~7.A regime map about the effects of different Ste numbers and Ra numbers on R_(pc)has been further *** discovered findings would be helpful in regulating melting process in the energy storage of solid-liquid PCM.

关键词： latent thermal energy storage solid-liquid phase change double MRT-LBM dominant melting mechanism