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The first chiral cerium halide towards circularly-polarized luminescence in the UV region

Science China Chemistry 2024年第6期67卷 1961-1968页

作者： Xinyi Niu Zhichao Zeng Zhaoyu Wang Haolin Lu Bing Sun Hao-Li Zhang Yongsheng Chen Yaping Du Guankui Long Tianjin Key Lab for rare earth materials and Applications Renewable Energy Conversion and Storage CenterSmart Sensing Interdisciplinary Science CenterSchool of Materials Science and EngineeringNational Institute for Advanced MaterialsNankai UniversityTianjin300350China Tianjin Key Lab for rare earth materials and Applications Center for Rare Earth and Inorganic Functional MaterialsHaihe Laboratory of Sustainable Chemical TransformationsSmart Sensing Interdisciplinary Science CenterSchool of Materials Science and EngineeringNational Institute for Advanced MaterialsNankai UniversityTianjin300350China State Key Laboratory of Applied Organic Chemistry Key Laboratory of Special Function Materials and Structure Design(Ministry of Education)College of Chemistry and Chemical EngineeringLanzhou UniversityLanzhou730000China The centre of Nanoscale Science and Technology and State Key Laboratory of Elemento-Organic Chemistry Frontiers Science Center for New Organic MatterCollege of ChemistryNankai UniversityTianjin300071China

Chiral organic-inorganic hybrid metal halides(OIHMHs)have attracted broader scientific community recently in spin lightemitting diodes,and circularly polarized light-emitting ***,the emission peaks of the reported chiral OIHMHs mainly locate in the visible region,and chiral OIHMH with ultraviolet(UV)circularly polarized luminescence(CPL)has been rarely *** fill this gap,cerium,a unique rare-earth(RE)element with tunable luminescence from UV to the visible region owing to the 4 f-related electronic transition,was introduced to construct the first RE-based chiral OIHMHs,R/*** chirality is successfully transferred from the chiral organic cations to the inorganic cerium chloride framework in R/S-MCC,as confirmed by the single crystal structures,circular dichroism,and *** emission spectra of R/S-MCC are in the UV region,originating from the characteristic d-f transition of Ce^(3+),which making the Ce-based metal halides are ideal candidates towards CPL light sources in the UV ***,R-and S-MCC are the first RE-based OIHMHs,also the first chiral metalhalides with UV *** work opens a new avenue for the development of the chiral OIHMH family towards RE-based chiral *** RE-based chiral metal halides couple the unique and superior optical,electrical,magnetic,and spintronic properties of RE elements with chirality could accelerate the development of chiral optoelectronics and spintronics toward real applications.

关键词： chiral rare-earth halide ultraviolet circularly-polarized luminescence d-f transition rare-earth halide perovskite chiral perovskite

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Gate-tunable Berry curvature in van der Waals itinerant ferromagnetic Cr_(7)Te_(8)

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InfoMat 2024年第3期6卷 108-116页

作者： Kui Meng Zeya Li Zhansheng Gao Xiangyu Bi Peng Chen Feng Qin Caiyu Qiu Lingyun Xu Junwei Huang Jinxiong Wu Feng Luo Hongtao Yuan national Laboratory of Solid State Microstructures Collaborative Innovation Center of Advanced MicrostructuresCollege of Engineering and Applied SciencesJiangsu Key Laboratory of Artificial Functional MaterialsNanjing UniversityNanjingthe People's Republic of China Center for the Physics of Low-Dimensional materials Henan Joint International Research Laboratory of New Energy Materials and DevicesSchool of Physics and ElectronicsHenan UniversityKaifengthe People's Republic of China Tianjin Key Lab for rare earth materials and Applications Center for Rare Earth and Inorganic Functional MaterialsSmart Sensor Interdisciplinary Science CenterSchool of Materials Science and EngineeringNankai UniversityTianjinthe People's Republic of China

The anomalous Hall effect(AHE)that associated with the Berry curvature of occupied electronic states in momentum-space is one of the intriguing aspects in condensed matter physics,and provides an alternative for potential applications in topological *** experiments reported the tunable Berry curvature and the resulting magnetization switching process in the AHE based on strain engineering or chemical ***,the AHE modulation by these strategies are usually irreversible,making it difficult to realize switchable control of the AHE and the resultant spintronic ***,we demonstrated the switchable control of the Berry-curvature-related AHE by electrical gating in itinerant ferromagnetic Cr_(7)Te_(8)with excellent ambient *** gate-tunable sign reversal of the AHE can be attributed to the redistribution of the Berry curvature in the band structure of Cr_(7)Te_(8)due to the intercalation-induced change in the Fermi *** work facilitates the applications of magnetic switchable devices based on gate-tunable Berry curvature.

关键词： anomalous Hall effect Berry curvature van der Waals itinerant ferromagnetism

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Photosensitizing metal-organic layers for photocatalysis,artificial photosynthesis and fluorescence imaging

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Science China Chemistry 2023年第12期66卷 3372-3382页

作者： An Li Yufeng Zhang Zichen Sun Zhiyang Niu Guangxu Lan Beijing national Laboratory for Molecular Science State Key Laboratory of Rare Earth Materials Chemistry and ApplicationsCollege of Chemistry and Molecular EngineeringPeking UniversityBeijing 100084China

In recent years,metal-organic layers(MOLs)with high-density and accessible open sites have emerged as a two-dimensional version of metal-organic frameworks(MOFs)with various potential ***,MOLs represent a promising platform for photocatalysis,artificial photosynthesis,and fluorescence imaging through the hierarchical assembly of photosensitizers and catalysts or other functional groups into *** review provides an overview of the structural design and synthesis strategies of MOLs with a particular emphasis on the applications of photosensitizing MOLs,illustrating the advantages of the MOLs-based *** final part discusses perspectives on the challenges encountered in this field and the emerging developments that can be expected.

关键词： metal-organic layers metal-organic frameworks photocatalysis artificial photosynthesis

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NaHCO_(3)-induced porous PbI_(2) enabling efficient and stable perovskite solar cells

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InfoMat 2023年第6期5卷 66-77页

作者： Yitian Du Ying Wang Jihuai Wu Qi Chen Chunyan Deng Ran Ji Liuxue Sun Lina Tan Xia Chen Yiming Xie Yunfang Huang Yana Vaynzof Peng Gao Weihai Sun Zhang Lan engineering research Center of Environment-Friendly functional materials Ministry of EducationInstitute of Materials Physical ChemistryHuaqiao UniversityXiamenthe People's Republic of China Integrated centre for Applied Physics and Photonic materials Technical University of DresdenDresdenGermany Chinese Academy of Science Xiamen Institute of Rare Earth MaterXiamenthe People's Republic of China

Driven by their many unique features,perovskite solar cells(PSCs)have become one of the most promising candidates in the photovoltaic ***-step preparation of perovskite film is advantageous for its higher stability and reproducibility compared to the one-step method,which is more suitable for practical ***,the incomplete conversion of the dense lead iodide(PbI_(2))layer during the sequential spin-coating of formamidinium/methylammonium(FA^(+)/MA^(+))organic amine salts severely affect the performance of ***,sodium bicarbonate(NaHCO_(3))is used to induce the formation of porous PbI_(2),which facilitates the penetration of the FA^(+)/MA^(+)ions and the formation of a perovskite film with high crystallinity and large grain ***,the introduction of Na^(+)not only improves the energetic alignment of the PSC,but also increases the conductivity via *** a result,the optimized NaHCO_(3)-modified PSC achieves a champion power conversion efficiency of 24.0% with suppressed ***,the significant reduction in defect density and ion migration as well as a mild alkaline environment enhance the stability of *** unencapsulated NaHCO_(3)-modified PSCs maintain over 90% of their original efficiency upon storage in ambient air(30%–40% relative humidity)for 2160 *** have demonstrated an ingenious strategy for controlling the quality of perovskite and improving the performance of device by low-temperature foaming of simple inorganic molecules of NaHCO_(3).

关键词： lead iodide(PbI_(2)) perovskite solar cell porous materials sodium bicarbonate(NaHCO_(3)) two-step deposition

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A novel self-activated ultraviolet persistent luminescence material and its anti-counterfeiting application based on intensity and time resolution from persistent luminescence

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Journal of rare earths 2022年第9期40卷 1417-1423,I0003页

作者： Shanshan Peng Lin Liu Lizhen Wang Rui Rong Liang Song Weixiong You Junpeng Shi Yun Zhang Faculty of materials Metallurgy and ChemistryJiangxi University of Science and TechnologyGanzhou 341000China State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of MatterChinese Academy of SciencesFuzhou 350002China Xiamen Key Laboratory of rare earth Photoelectric functional materials Xiamen Institute of Rare Earth MaterialsHaixi InstituteChinese Academy of SciencesXiamen 361021China University of Chinese Academy of Sciences Beijing 100049China Ganjiang Innovation Academy Chinese Academy of SciencesGanzhou 341000China

Recently,the ultraviolet(UV)persistent luminescence material(PLM)has attracted extensive ***,the design and development of new UV PLM and exploring their promising advanced application remain ***,we developed a new dopant-free self-activated UVA PLM,Zn_(2)Al_(2)SiO_(7),which could be applied in anti-counterfeiting ***_(2)Al_(2)SiO_(7)shows UVA persistent luminescence(PersL)peaking at 380 nm after 254 nm UV lamp *** of Yb^(3+),the UVA PersL intensity and time are raised obviously,and the UVA PersL time lasts more than 24 *** addition,Yb^(3+)-doped Zn_(2)Al_(2)SiO_(7)exhibits photostimulated properties with different light ***,we design anticounterfeiting pattern based on intensity and time resolution from PersL of Zn_(2)Al_(2)SiO_(7),showing its advantages in the anti-counterfeiting field.

关键词： Persistent luminescence Ultraviolet Anti-counterfeiting Self-activated rare earths

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A density functional study on magnetic exchange interaction between Mn(II)ion and nitronyl nitroxide radical in trans-and cis-metal-radical complexes

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Science China Chemistry 2005年第5期48卷 402-414页

作者： WEI Haiyan WANG Fan CHEN Zhida State Key Laboratory of rare earth materials Chemistry and Applications College of Chemistry and Molecular Engineering Peking University Beijing 100871 China State Key Laboratory of Rare Earth Materials Chemistry and Applications College of Chemistry and Molecular Engineering Peking University Beijing 100871 China State Key Laboratory of Rare Earth Materials Chemistry and Applications College of Chemistry and Molecular Engineering Peking University Beijing 100871 China

The magneto-structural correlation between a Mn(II) ion, coordinated in an octahe-dral environment, and two nitronyl nitroxide radical ligands in trans- and cis-metal-radical com-plexes is investigated by the broken symmetry (BS) approach within density functional theory (DFT). The dependences of coupling constants J on three structural parameters: (i) bond angle θ (Mn-O-N (nitroxide)); (ii) rotating angle ψ, defined by the nitronyl nitroxide radical plane rotating around the axial Mn-O (nitroxide); (iii) bond distance R (Mn-O (nitroxide)) are directly calculated. Our calculations showed that both trans- and cis-Mn(II)-radical complexes behave a stronger antiferromagnetic interaction, consistent with experiments. In view of molecular orbital theory, the direct exchanges, including σ-type and π-type exchanges, are responsible for the magnetic ex-change pathways. There is a preferable linear correlation between the calculated coupling con-stants J and the overlap integral squares Sa2b between the local magnetic orbitals at the various rotating angle ψ at the fixed bond angle θ and bond distance R, in both trans- and cis-Mn(II)- radical complexes.

关键词： density functional theory, broken-symmetry approach, magnetic exchange, molecular magnetism,Mn(II)-NITR complex.

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Highly Stretchable Shape Memory Self-Soldering Conductive Tape with Reversible Adhesion Switched by Temperature

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Nano-Micro Letters 2021年第8期13卷 152-162页

作者： Mengyan Wang Quan Zhang Yiwen Bo Chunyang Zhang Yiwen Lv Xiang Fu Wen He Xiangqian Fan Jiajie Liang Yi Huang Rujun Ma Yongsheng Chen School of materials Science and engineering National Institute for Advanced MaterialsTianjin Key Lab for Rare Earth Materials and ApplicationsNankai UniversityTongyan Road 38Tianjin 300350People’s Republic of China State Key Laboratory and Institute of Elemento-Organic Chemistry Centre of Nanoscale Science and Technology and Key Laboratory of Functional Polymer MaterialsCollege of ChemistryNankai UniversityWeijin Road 94Tianjin 300071People’s Republic of China

With practical interest in the future applications of next-generation electronic devices,it is imperative to develop new conductive interconnecting materials appropriate for modern electronic devices to replace traditional rigid solder tin and silver paste of high melting temperature or corrosive solvent ***,we design highly stretchable shape memory self-soldering conductive(SMSC)tape with reversible adhesion switched by temperature,which is composed of silver particles encapsulated by shape memory *** tape has perfect shape and conductivity memory property and anti-fatigue ability even under the strain of 90%.It also exhibits an initial conductivity of 2772 S cm^(−1) and a maximum tensile strain of~100%.The maximum conductivity could be increased to 5446 S cm^(−1) by decreasing the strain to 17%.Meanwhile,SMSC tape can easily realize a heating induced reversible strong-to-weak adhe-sion transition for self-soldering *** combination of stable conductivity,excellent shape memory performance,and temperature-switching reversible adhesion enables SMSC tape to serve two functions of electrode and solder *** provides a new way for conductive interconnecting materials to meet requirements of modern electronic devices in the future.

关键词： Shape memory performance Self-soldering conductive tape Reversible adhesion Stretchable electronics

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Density functional calculations of large systems containing heavy elements by means of the regionalization algorithm

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Science China Chemistry 2004年第6期47卷 453-465页

作者： HU Xiangqian LI Lemin State Key Laboratory of rare earth materials and Applications College of Chemistry and Molecular Engineering Peking University Beijing 100871 China State Key Laboratory of Rare Earth Materials and Applications College of Chemistry and Molecular Engineering Peking University Beijing 100871 China

The regionalized computational method is extended to the non-relativistic, scalar and 2-component relativistic density functional calculation of large systems containing transition series or heavy main-group metal elements. A large system is divided into several regions which can be considered as relatively independent quantum mechanical subsystems. Taking into account the Coulomb and exchange-correlation potentials as well as the Pauli repulsion exerted by the other subsystems, the Kohn-Sham equation related to subsystem K can be written as: $(F^K + F_P^K )C^K = S^K C^K \varepsilon ^K K = A,B,C \cdots ,$ where F K , C K , S K , ε K are the Fock matrix, the matrix of combination coefficients of orbitals, the overlap matrix of basis sets and the energy eigenvalue matrix, respectively. The matrix F K K reflects the Pauli repulsion from the other subsystems. F K may be non-relativistic, scalar or 2-component relativistic Fock matrix determined by the theoretical method related to the density functional calculations. The other matrices are mated with F K . Solving the Kohn-Sham equation for every subsystem and combining the results from the subsystem calculations, the electronic structural information of the whole system is derived. The density functional calculation of several molecules containing transition metal Ni or heavy main-group metal TI or Bi is performed by the afore-mentioned regionalization algorithm. The obtained results for each molecule are compared with those from the density functional calculation of that molecule in its entirety in order to check the feasibility of the regionalization algorithm. It is found that with sufficiently large regional basis set in the subsystem calculation the accuracy of the results calculated by the regionalization algorithm is essentially the same as that from the calculation of the molecule in its entirety. With proper smaller regional basis sets the accuracy of the results calculated with the regionalization algorithm c

关键词： density functional calculation, large system, transition metal, heavy element, regionalization algorithm.

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Ultra-small hollow ternary alloy nanoparticles for efficient hydrogen evolution reaction

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national Science Review 2021年第7期8卷 185-197页

作者： Zhenxing Li Chengcheng Yu Yikun Kang Xin Zhang Yangyang Wen Zhao-Kui Wang Chang Ma Cong Wang Kaiwen Wang Xianlin Qu Miao He Ya-Wen Zhang Weiyu Song State Key Laboratory of Heavy Oil Processing College of New Energy and Materials Beijing Key Laboratory of Biogas Upgrading Utilization China University of Petroleum (Beijing) College of Science China University of Petroleum (Beijing) Jiangsu Key Laboratory for Carbon-Based functional materials and Devices Institute of Functional Nano and Soft Materials (FUNSOM) Soochow University Beijing Key Laboratory and Institute of Microstructure and Property of Advanced materials Beijing University of Technology Beijing national Laboratory for Molecular Sciences State Key Laboratory of Rare Earth Materials Chemistry and Applications PKU–HKU Joint Laboratory in Rare Earth Materials and Bioinorganic Chemistry College of Chemistry and Molecular Engineering Peking University

Hollow nanoparticles with large specific surface area and high atom utilization are promising catalysts for the hydrogen evolution reaction(HER). We describe herein the design and synthesis of a series of ultra-small hollow ternary alloy nanostructures using a simple one-pot strategy. The same technique was demonstrated for hollow PtNiCu nanoparticles, hollow PtCoCu nanoparticles and hollow CuNiCo nanoparticles. During synthesis, the displacement reaction and oxidative etching played important roles in the formation of hollow structures. Moreover, our hollow PtNiCu and PtCoCu nanoparticles were single crystalline, with an average diameter of 5 nm. Impressively, ultra-small hollow PtNiCu nanoparticles,containing only 10% Pt, exhibited greater electrocatalytic HER activity and stability than a commercial Pt/C catalyst. The overpotential of hollow Pt Ni Cu nanoparticles at 10 mA cm-2was 28 mV versus reversible hydrogen electrode(RHE). The mass activity was 4.54 A mg Pt-1at-70 mV versus RHE, which is 5.62-fold greater than that of a commercial Pt/C system(0.81 A mg Pt-1). Through analyses of bonding and antibonding orbital filling, density functional theory calculations demonstrated that the bonding strength of different metals to the hydrogen intermediate(H*) was in the order of Pt > Co > Ni > Cu. The excellent HER performance of our hollow PtNiCu nanoparticles derives from moderately synergistic interactions between the three metals and H*. This work demonstrates a new strategy for the design of low-cost and high-activity HER catalysts.

关键词： ultra-small hollow nanostructure hydrogen evolution reaction density functional theory

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Synthesis of NaYF_(4):20% Yb^(3+),2% Er^(3+),2% Ce^(3+)@NaYF_(4) nanorods and their size dependent uptake efficiency under flow condition

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Journal of rare earths 2022年第10期40卷 1519-1526页

作者： Dongmei Qiu Jie Hu Peiyuan Wang Decai Huang Yaling Lin Haina Tian Xiaodong Yi Qilin Zou Haomiao Zhu Fujian Normal University Fuzhou350007China CAS Key Laboratory of Design and Assembly of functional Nanostructures and Fujian Key Laboratory of NanomaterialsFujian Institute of Research on the Structure of MatterChinese Academy of SciencesFuzhou 350002China Xiamen Key Laboratory of rare earth Photoelectric functional materials Xiamen Institute of Rare Earth MaterialsHaixi InstitutesChinese Academy of SciencesXiamen361021China College of materials Science and engineering Huaqiao UniversityXiamen 361021China research Center of Biomedical engineering of Xiamen&Key Laboratory of Biomedical engineering of Fujian Province&Fujian Provincial Key Laboratory for Soft functional materials research Department of BiomaterialsCollege of MaterialsXiamen UniversityXiamen 361005China centre D’Elaboration de Mat eriaux et D’Etudes Structurales(CEMES) CNRSUniversit e de Toulouse-UPS29 Rue Jeanne MarvigBP 9434731055ToulouseCedex 4France

Lanthanide doped fluorescent nanoparticles have gained considerable attention in biomedical ***,the low uptake efficiency of nanoparticles by cells has limited their *** this work,we demonstrate how the uptake efficiency is affected by the size of nanoparticles under flow *** the same size NaYF_(4):20%Yb^(3+),2%Er^(3+),2%Ce^(3+)(the contents of rare earths elements are in molar fraction)nanoparticles as core,NaYF_(4):20%Yb^(3+),2%Er^(3+),2%Ce^(3+)@NaYF_(4) core-shell structured nanorods(NRs)with different sizes of 60-224 nm were synthesized by thermal decomposition and hot injection *** excitation at 980 nm,a strong upconversion green emission(541 nm,^(2)H_(11/2)→^(4) I_(15/2) of Er^(3+))is observed for all *** emission intensity for each size nanorod was calibrated and is found to depend on the width of *** flow conditions,the nanorods with 96 nm show a maximum uptake efficiency by endothelial *** work demonstrates the importance of optimizing the size for improving the uptake efficiency of lanthanide-doped nanoparticles.

关键词： Uptake efficiency Endothelial cells Upconversion luminescence Cell imaging rare earths

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