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Mechanical properties,thermal conductivity and defect formation energies of samarium immobilization in Gd_(2)Zr_(2)O_(7):First-principles study and irradiation experiment

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Journal of Rare Earths 2023年第3期41卷 422-433,I0004页

作者： Yuhao Wang Jiahu Ouyang Tao Wei Gui Cao Zhanguo Liu Zhaoying Ding Yujin Wang Yaming Wang Key Laboratory of Advanced Structural-Functional Integration Materials&Green Manufacturing Technology School of Materials Science and EngineeringHarbin Institute of TechnologyHarbin 150001China Nuclear Fuel Cycle Research Theme Australian Nuclear Science and Technology OrganisationLocked Bag 2001Kirrawee DCNSW2232Australia

A density functional theory(DFT)study was employed to investigate the mechanical property,thermal conductivity,Debye temperature,electronic structure and defect chemistry of(Gd_(1-x)Sm_(x))_(2)Zr_(2)O_(7).All the(Gd_(1-x)Sm_(x))_(2)Zr_(2)O_(7) compounds exhibit an excellent structural and mechanical stability(Gd_(0.25)Sm_(0.75))_(2)Zr_(2)O_(7) has the lowest Young’s modulus of 213.7 GPa,the largest Possion’s ratio of 0.292,the lowest Debye temperature of 491.8 K and the lowest thermal *** calculated thermal conductivities of(Gd_(1-x)Sm_(x))_(2)Zr_(2)O_(7) are 1.17-1.21 W/(m·K)by the Clark’s model and 1.32-1.36 W/(m·K)by the Cahall’s model,*** formation energies of O vacancies at 48f site are negative,which increase with the Sm content,however,the formation energies of O vacancies at 8b site are almost *** addition,Sm partly occupying the Gd-site reduces distinctly the formation energies of defects such as A-site vacancies,cation antisite defects,anion Frenkel pairs of oxygen at 8b site and cation interstitials,which suggests that Sm-doped Gd_(2)Zr_(2)O_(7),especially equimolar GdSmZr_(2)O_(7),has a better irradiation *** the 16 MeVTa-ion irradiation at a fluence of 1×10^(14) or 2×10^(14) ions/cm^(2),the crystal structure of GdSmZr_(2)O_(7) transforms from pyrochlore to a defect fluorite without obvious amorphous phase.

关键词： Pyrochlores First-principles calculations Mechanical properties Defect formation energies Ion irradiation Rare earths

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Non-destructive buffer enabling near-infrared-transparent inverted inorganic perovskite solar cells toward 1400 h light-soaking stable perovskite/Cu(In,Ga)Se_(2) tandem solar cells

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Journal of Energy Chemistry 2024年第10期97卷 622-629,I0013页

作者： Yu Zhang Zhaoheng Tang Zhongyang Zhang Jiahong Tang Minghua Li Siyuan Zhu Wenyan Tan Xi Jin Tongsheng Chen Jinsong Hu Chao Zhou Chunlei Yang Qijie Liang Xugang Guo Weimin Li Weiqiang Chen Yan Jiang MOE Key Laboratory of Laser Life Science&Guangdong Provincial Key Laboratory of Laser Life Science Guangzhou Key Laboratory of Spectral Analysis and Functional ProbesCollege of BiophotonicsSouth China Normal UniversityGuangzhou 510631GuangdongChina school of Materials Science and Engineering Beijing Institute of TechnologyBeijing 100081China Songshan Lake Materials Laboratory Dongguan 523429GuangdongChina Department of Materials Science and Engineering Guangdong Provincial Key Laboratory of Functional Oxide Materials and DevicesSouthern University of Science and TechnologyShenzhen 518055GuangdongChina Beijing Advanced Innovation Center for Soft Matter Science and Engineering College of Chemical EngineeringCollege of Materials Science and EngineeringBeijing University of Chemical TechnologyBeijing 100029China Department of Physics Liaoning UniversityShenyang 110036LiaoningChina Beijing National Laboratory for Molecular Sciences(BNLMS) Institute of ChemistryChinese Academy of SciencesBeijing 100190China School of Physics and Materials Science Guangzhou UniversityGuangzhou 510006GuangdongChina Shenzhen Institute of Advanced Technology Chinese Academy of SciencesShenzhen 18055GuangdongChina

Near-infrared(NIR)transparent inverted all-inorganic perovskite solar cells(PSCs)are excellent top cell candidates in tandem *** essential challenge is the replacement of metal contacts with transparent conductive oxide(TCO)electrodes,which requires the introduction of a buffer layer to prevent sputtering *** this study,we show that the conventional buffers(i.e.,small organic molecules and atomic layer deposited metal oxides)used for organic-inorganic hybrid perovskites are not applicable to all-inorganic perovskites,due to non-uniform coverage of the vulnerable layers underneath,deterioration upon ion bombardment and moisture induced perovskite phase transition,A thin film of metal oxide nanoparticles by the spin-coating method serves as a non-destructive buffer layer for inorganic ***-inorganic inverted near-infrared-transparent PSCs deliver a PCE of 17.46%and an average transmittance of 73.7%between 780 and 1200 *** combination with an 18.56%Cu(In,Ga)Se_(2) bottom cell,we further demonstrate the first all-inorganic perovskite/CIGS 4-T tandem solar cell with a PCE of 24.75%,which exhibits excellent illumination stability by maintaining 86.7%of its initial efficiency after 1400 *** non-destructive buffer lays the foundation for efficient and stable NIR-transparent inverted inorganic perovskite solar cells and perovskite-based tandems.

关键词： CsPbI_(3)perovskite Inverted perovskite solar cells Tandem solar cells Buffer layer Stability

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Development of porphyrin-based fluorescent sensors and sensor arrays for saccharide recognition

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Chinese Chemical Letters 2024年第2期35卷 16-23页

作者： Yubin Ding Jiaxin Wang Ruinan Wang Yongshu Xie Department of Chemistry College of SciencesNanjing Agricultural UniversityNanjing 210095China Shanghai Key Laboratory of Functional Materials Chemistry Key Laboratory for Advanced Materials and Institute of Fine ChemicalsSchool of Chemistry and Molecular EngineeringEast China University of Science & TechnologyShanghai 200237China

Saccharide sensing is a very meaningful research topic as saccharides are involved in many biological ***,it is challenging to design molecular sensors for saccharides because this family of compounds is hydromimetic in aqueous solutions and shares a similar chemical *** this review,research progress in the development of porphyrin-based saccharide sensors is described with representative *** focus on using porphyrin as the signal reporter because porphyrins exhibit unique advantages in high chemical stability,long emission wavelength,and multiple structural modification *** literature results have been classified into mainly two sections according to the general working principles of the porphyrin sensor *** the first section,recognition unit,design strategy and sensing performance of traditional porphyrin-based selective saccharide sensors are *** in the second section,development of porphyrin-based sensor arrays for pattern recognition of saccharides has been *** through the design strategy and sensing performance of reported achievements,it is reasonable to anticipate a bright future for designing practical porphyrin-based saccharide sensors.

关键词： Porphyrin Saccharide Fluorescent sensing Selective sensing Pattern recognition

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Aligne d nanofib ers incorporate d composite solid electrolyte for high-sensitivity oxygen sensing at medium temperatures

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Journal of Materials science & technology 2024年第14期181卷 189-197页

作者： Mengfei Zhang Lei Yao Yan Xing Jing Cheng Tianrang Yang Jianguo Liu Wei Pan Institute of Energy Power Innovation North China Electric Power UniversityBeijing 102206China State Key Laboratory of New Ceramics and Fine Processing School of Materials Science and EngineeringTsinghua UniversityBeijing 100084China Shenzhen Key Laboratory of Special Functional Materials Shenzhen Engineering Laboratory for Advanced Technology of CeramicsGuangdong Research Center for Interfacial Engineering of Functional MaterialsCollege of Materials Science and EngineeringShenzhen UniversityShenzhen 518060China New Energy Technology Engineering Lab of Jiangsu Province School of ScienceNanjing University of Posts&Telecommunications(NUPT)Nanjing 210003China

otentiometric oxygen sensors have been widely used in internal combustion engines,industrial boilers,and metallurgical heat treatment ***,traditional oxygen sensors based on yttria-stabilized zirconia(YSZ)electrolyte can only be operated at elevated temperatures(>750℃)due to their rela-tively low ionic *** this study,we present a highly efficient micro-oxygen sensor that can be operated at a temperature as low as 300℃.This micro-oxygen sensor incorporates a composite solid electrolyte,i.e.,well-aligned gadolinium-doped cerium oxide(CGO)nanofibers embedded within a YSZ matrix(YSZ/CGO_(f)).The arrays of CGO nanofibers in the YSZ matrix are parallel to the conduction direc-tion,providing rapid conducting channels for oxygen *** from this design,the composite electrolyte leads to a conductivity of four times higher than that of traditional YSZ solid electrolytes at low *** enhancement in conductivity is attributed to the presence of a defective interfacial region between CGO_(f)and YSZ,which promotes the mobility of oxygen *** strategy of constructing fast ionic conduction in the composite electrolyte by using well-aligned nanofibers may be considered for the design and optimization of other micro/nano-devices including sensors,batteries,and fuel cells.

关键词： Oxygen sensor Nanofibers composite electrolyte Ionic conduction

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Poly(alkyl-biphenyl pyridinium)anion exchange membranes with a hydrophobic side chain for mono-/divalent anion separation

Industrial Chemistry & Materials

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Industrial Chemistry & Materials 2023年第1期1卷 129-139页

作者： Hongxin Yang Noor Ul Afsar Qian Chen Xiaolin Ge Xingya Li Liang Ge Tongwen Xu Anhui Provincial Engineering Laboratory of Functional Membrane Materials and Technology Department of Applied ChemistrySchool of Chemistry and Materials ScienceUniversity of Science and Technology of ChinaHefei 230026PR China Applied Engineering Technology Research Center for Functional Membranes Institute of Advanced TechnologyUniversity of Science and Technology of ChinaHefei230088PR China

A series of poly(alkyl-biphenyl pyridinium)anion exchange membranes(AEMs)with a hydrophobic side chain were prepared for mono-/divalent anion separation using electrodialysis(ED).A poly(alkyl-biphenyl pyridinium)polymer was synthesized via superacid-catalyzed polymerization,and then quaternization was conducted using Menshutkin reactions with *** obtained quaternized product had excellent solubility in common organic solvents,making it flexible to form homogeneous membranes by a solution casting *** introduction of a hydrophobic side chain resulted in a microphase separation structure in the membrane,which is favorable to the active transport of Cl−(higher Cl−flux of up to 3.37 mol m−2 h−1 at a 10 mA cm−2 current density)compared with that of SO42−ions giving a high permselectivity of 11.9 in a mixed salt(NaCl/Na2SO4)*** addition,the prepared membrane exhibited excellent alkaline stability in successive ED *** showed an OH−flux of up to 3.6 mol m−2 h−1 with a permselectivity of 361.2 between OH−and WO42−,which is much higher than that of Neosepta ACS *** ED results manifest that the poly(alkyl-biphenyl pyridinium)AEMs can be promising candidates for practical mono-/divalent anion separation in industry.

关键词： Superacid-catalyzed polymerization Anion exchange membrane Mono-/divalent anion separation Electrodialysis Permselectivity

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Arginine-solubilized lipoic acid-induced β-sheets of silkfibroin-strengthened hydrogel for postoperative rehabilitation ofbreast cancer

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Bioactive Materials 2024年第10期40卷 667-682页

作者： Zhuodan Zhang Yi Xia Xinyi Li Qian Zhang Yuanhao Wu Chunyan Cui Jianfeng Liu Wenguang Liu School of Material Science and Engineering Tianjin Key Laboratory of Composite and Functional MaterialsTianjin UniversityTianjin300352China State Key Laboratory of Advanced Medical Materials and Devices Tianjin Key Laboratory of Radiation Medicine and Molecular Nuclear MedicineKey Laboratory of Radiopharmacokinetics for Innovative DrugsTianjin Institutes of Health ScienceInstitute of Radiation MedicineChinese Academy of Medical Sciences&Peking Union Medical CollegeTianjin300192China State Key Laboratory of Molecular Engineering of Polymers(Fudan University) China

Breast cancer is the most common cancer among women worldwide, and adjuvant radiotherapy (RT) followingtumor removal is one of the most commonly used treatments for breast cancer. However, the high risk of tumorrecurrence and inevitable radiation skin injury after RT remain fatal problems, seriously challenging the patient’spostoperative rehabilitation. Herein, a multifunctional poly (lipoic acid)-based hydrogel is constructed throughone-step heating the mixture of α-lipoic acid (LA)/arginine (Arg)/silk fibroin (SF), without introducing any nonnaturalmolecules. The multiple synergistic interactions among LA, Arg, and SF not only enhance the solubilizationof LA in aqueous systems but also stabilize poly(lipoic acid) through strong salt bridge hydrogen bondsand ionic hydrogen bonds. Intriguingly, the LA-based surfactant induced β-sheet transformation of SF can furthermodulate the bulk strength of the hydrogel. Regulating the content of LA in hydrogels not only allows efficientcontrol of hydrogel bioactivity but also enables the evolution of hydrogels from injectable forms to adhesivepatches. Based on the different biological activities and forms of hydrogels, they can be implanted internally orapplied externally on the mice’s skin, achieving simultaneous prevention of tumor recurrence post-surgery andassistance in treating radiation-induced skin damage after radiotherapy.

关键词： α-lipoic acid Adhesive hydrogel Injectable hydrogel Tumor inhibition Wound healing

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In situ preparation of Ag@AgCl/Bio-veins composites and their photocatalytic activity and recyclability

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Frontiers of Chemical science and Engineering 2023年第7期17卷 906-917页

作者： Min Zou Chao Tan Zhengqiu Yuan Ming Wu Jian Jian Lei Zhang Yan Zhang Zhou Ma Hu Zhou School of Resource&Environment and Safety Engineering Hunan University of Science and TechnologyXiangtan 411201China Key Laboratory of Theoretical Organic Chemistry and Functional Molecules Ministry of EducationFunctional Film Materials Engineering Research Center of Hunan ProvinceHunan Provincial Key Laboratory of Advanced Materials for New Energy Storage and ConversionSchool of Chemistry and Chemical EngineeringHunan University of Science and TechnologyXiangtan 411201China School of Information and Electrical Engineering Hunan University of Science and TechnologyXiangtan 411201China

The industrial application of nano-photocatalysts in wastewater treatment has been severely restricted for a long time due to their difficult separation,poor reusability,and low *** this work,a facile strategy was proposed to enhance the photocatalytic activity and recovery performance of Ag@AgCl *** veins(Bio-veins)with a unique 3D porous construction were used as carriers for the in-situ growth of Ag@AgCl *** electron microscopy results showed that the Ag@AgCl nanoparticles were uniformly loaded on the surface and interior of the Bio-veins,and the size of the Ag@AgCl nanoparticles immobilized on the Bio-veins(50–300 nm)was significantly smaller than Ag@AgCl obtained by the co-precipitation method(1–3μm).The Bio-veins played a vital role in the photocatalysis reaction *** degradation efficiency of the Ag@AgCl/Bio-veins(CI4)was up to 3.50 times as high as pure Ag@***,the composites also exhibited excellent recyclability and stability under both visible and solar *** work provided a suitable strategy for nano-photocatalysts for practical application and may also offer new possibilities for the high-value utilization of biomass materials.

关键词： Ag@AgCl biological veins photocatalytic activity recyclability

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Ultrathin layered double hydroxide nanosheets prepared by original precursor method for photoelectrochemical photodetectors

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Nano Research 2022年第10期15卷 9392-9401页

作者： Yu Wang Fulai Zhao Yiyu Feng Wei Feng School of Materials Science and Engineering Tianjin UniversityTianjin 300072China Tianjin Key Laboratory of Composite and Functional Materials Tianjin 300072China Key Laboratory of Advanced Ceramics and Machining Technology Ministry of EducationTianjin 300350China Key Laboratory of Materials Processing and Mold Ministry of EducationZhengzhou UniversityZhengzhou 450002China

Layered double hydroxides(LDHs)are widely used owing to their unique alternating anionic and cationic layered twodimensional(2D)***,studies on the preparation of 2D LDH nanosheets with uniform thickness and their photodetectors are *** this study,two novel ultrathin LDH(Ca-In and Ca-Al LDH)nanosheets are peeled off from precursor bimetallic phosphides through the original precursor *** Ca-In and Ca-Al LDH nanosheets demonstrate a uniform thickness distribution with an average thickness of 3–4 nm,micron-level lateral sizes,and moderate *** to its broad light absorption range,hydrophilicity,and stability,Ca-In and Ca-Al LDH nanosheets are applied for the first time in photoelectrochemical photodetectors,realizing a wide range of light detection from ultraviolet(365 nm)to visible light(635 nm).Moreover,the fabricated photodetectors exhibit excellent cycle stability,and the average photocurrent density shows no reduction after 70 ***,this study provides an effective method to prepare 2D Ca-In and Ca-Al LDH nanosheets with uniform thickness and photoelectric application prospects.

关键词： layered double hydroxides precursor method thickness photoelectrochemical photodetectors calculations

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Direct ink writing of multifunctional gratings with gel-like MXene/norepinephrine ink for dynamic electromagnetic interference shielding and patterned Joule heating

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Nano Research 2024年第3期17卷 1585-1594页

作者： Pei-Zhu Jiang Zhiming Deng Peng Min Lvxuan Ye Cheng-Zhang Qi Hao-Yu Zhao Ji Liu Hao-Bin Zhang Zhong-Zhen Yu Beijing Key Laboratory of Advanced Functional Polymer Composites Beijing University of Chemical TechnologyBeijing 100029China State Key Laboratory of Organic-Inorganic Composites College of Materials Science and EngineeringBeijing University of Chemical TechnologyBeijing 100029China School of Chemistry CRANN and AMBERTrinity College DublinDublin D02PN40Ireland

Intelligent electromagnetic interference(EMI)shielding modulators with a wide tuning range and cyclic stability are urgently needed but their fabrication remains challenging.A gel-like MXene/norepinephrine ink is developed and multifunctional MXene gratings with wide EMI shielding effectiveness(SE)tuning range,superior reversibility,and high mechanical flexibility are constructed by direct ink writing approach for dynamic EMI shielding and patterned Joule heating *** modulable MXene/norepinephrine grating with a high conductivity of 3510 S·cm-1 can conveniently realize the seamless modulation of the EMI SE by adjusting the angle between the MXene grating filaments and the electric field of the incident electromagnetic waves,offering highly reversible switching between shielding“On”(28.0 dB)and“Off”(0.5 dB)***,due to the optimized integration of the MXene ink and the rationally designed pattern,a superior specific EMI SE of 95,688.2 dB·cm^(2)·g^(-1) is achieved in the“On”***,the MXene/norepinephrine ink can be used to fabricate many complex patterned gratings with superior stability,instant responsibility,and superb mechanical flexibility,exhibiting a unique patterned Joule heating *** writing of multifunctional gratings paves a means for developing intelligent EMI shielding materials,wearable electronic devices,and advanced thermal management materials.

关键词： MXene ink direct ink writing electromagnetic interference shielding multifunctional gratings Joule heating

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The Trade‑Offs in the Design of Reversible Zinc Anodes for Secondary Alkaline Batteries

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Electrochemical Energy Reviews 2022年第1期5卷 187-210页

作者： Honglin Luo Bin Liu Zhiwei Yang Yizao Wan Cheng Zhong Institute of Advanced Materials East China Jiaotong UniversityNanchang 330013JiangxiChina Key Laboratory of Advanced Ceramics and Machining Technology(Ministry of Education) School of Materials Science and EngineeringTianjin UniversityTianjin 300072China Tianjin Key Laboratory of Composite and Functional Materials School of Materials Science and EngineeringTianjin UniversityTianjin 300072China

Zinc-based batteries have long occupied the largest share of the primary battery market,but this advantage has not continued in the secondary battery *** is mainly because the cycling performance of secondary zinc-based batteries is significantly limited by the poor reversibility of zinc electrodes,including the formation of zinc dendrites,electrode deformation,corrosion,and hydrogen *** solve the above problems,researchers have developed many novel strategies,such as surface coating,use of electrode additives,use of electrolyte additives,and electrode structure ***,the implementation of these strategies inevitably requires consideration of trade-offs because the core factors that limit the reversibility of zinc electrodes are not isolated but ***,fully understanding the trade-offs in the zinc electrode design process is necessary to fundamentally improve the cycling performance of the zinc electrode and construct a practical secondary zinc-based *** perspective gives an introduction to various problems that limit the cycling of zinc electrodes and discusses the theoretical causes of these *** trade-offs in various typical strategies are systematically analyzed,and their positive and negative effects on performance are *** work aims to provide insights for the development of highly reversible zinc anodes for practical secondary zinc-based batteries.

关键词： Aqueous batteries Zinc anode Zinc-based batteries Trade-off

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