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Pressure-induced emission(PIE)in halide perovskites toward promising applications in scintillators and solid-state lighting

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Aggregate 2024年第1期5卷 9-15页

作者： Wenya Zhao Guanjun Xiao Bo Zou State Key laboratory of superhard materials College of PhysicsJilin UniversityChangchunChina

High-pressure chemistry has provided a huge boost to the development of scientific community.Pressure-induced emission(PIE)in halide perovskites is gradually showing its unique charm in both pressure sensing and optoelectronic device applications.Moreover,the PIE retention of halide perovskites under ambient conditions is of great commercial value.Herein,we mainly focus on the potential applications of PIE and PIE retention in metal halide perovskites for scintillators and solid-state lighting.Based on the performance requirements of scintillator and single-component white light-emitting diodes(WLEDs),the significance of PIE and PIE retention is critically clarified,aiming to design and synthesize materials used for high-performance optoelectronic devices.This perspective not only demonstrates promising applications of PIE in the fields of scintillators and WLEDs,but also provides potential applications in display imaging and anti-counterfeiting of PIE materials.Furthermore,solving the scientific disputes that exist under ambient conditions is also simply discussed as an outlook by introducing high-pressure dimension to produce PIE.

关键词： halide perovskites high pressure light-emitting diode pressure-induced emission scintillators solidstate lighting

Pressure effects on the absorption spectra of Na doped in solid Ar

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Science China(Physics,Mechanics & Astronomy) 2004年第5期47卷 550-560页

作者： CUI Tian1, HE Wenjiong1, YIN Hongwei1, MA Yanming1, CHEN Changbo1, ZOU Guangtian1, WEI Mengfu2 & CHEN Changan2 1. national laboratory of superhard materials, Jilin University, Changchun 130012, China 2. China Academy of Engineering Physics, Box 919-71, Mianyang 621900, China national laboratory of superhard materials Jilin University Changchun China China Academy of Engineering Physics Mianyang China

In this work, the pressure influence on the absorption spectra of Na in solid Ar for various trapping sites is extensively investigated at T = 10 K and in the pressure range from 0 to 2.4 GPa by using Monte Carlo method with a constant pressure ensemble (NPT). For the trapping sites of nv = 1, 2, the absorption spectral widths increase progressively, the absorption peaks and the centroid spectral shift (CSS) tend to have a red shift with pressure increasing, even though there is no local structural symmetry change around Na atom caused by pressure. Highly symmetrical trapping site structure (nv = 1) determines a highly symmetrical triplet absorption feature at a low pressure. With the increase in pressure, the action from the Ar crystal field on the three energy levels of the 3p excited state of Na atom increases, resulting in the overlap of the three peaks. Low symmetrical trapping site structure (nv = 2) yields a low symmetrical triplet absorption pattern in which a large separation between the single?and the double?peaks exists at a low pressure. With the increase in pressure, the splitting between the singlet and the doublet increases, and the doublet merges as the pressure is larger than 2.4 GPa.

关键词： Monte Carlo, simulation, absorption spectra, doped system, pressure effect.

Overcoming the Na-ion conductivity bottleneck for the cost-competitive chloride solid electrolytes

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Journal of Energy Chemistry 2024年第8期95卷 1-8页

作者： Lv Hu Hui Li Fang Chen Yating Liu Jinzhu Wang Cheng Ma Hefei national Research Center for Physical Sciences at the Microscale CAS Key Laboratory of Materials for Energy Conversion Department of Materials Science and Engineering University of Science and Technology of China national Synchrotron Radiation laboratory

Chloride solid electrolytes possess multiple advantages for the construction of safe,energy-dense allsolid-state sodium batteries,but presently the chlorides with sufficiently high cost-competitiveness for commercialization almost all exhibit low Na-ion conductivities of around 10-5S cm-1or lower.Here,we report a chloride solid electrolyte,Na2.7ZFCl5.3O0.7,which reaches a Na-ion conductivity of2.29 × 10-4S cm-1at 25℃ without involving overly expensive raw materials such as rare-earth chlorides or Na2S.In addition to the efficient ion transport,Na2.7ZrCl5.3O0.7also shows an excellent deformability surpassing that of the widely studied Na3PS4,Na3SbS4,and Na2ZrCl6solid electrolytes.The combination of these advantages allows the all-solid-state cell based on Na2.7ZrCl5.3O0.7and NaCrO2to realize stable room-temperature cycling at a much higher specific current than those based on other non-viscoelastic chloride solid electrolytes in literature(120 mA g-1vs.12-55 mA g-1);after 100 cycles at such a high rate,the Na2.7ZFCl5.3O0.7-based cell can still deliver a discharge capacity of 80 mAh g-1at25℃.

关键词： All-solid-state sodium batteries Chlorides High voltage stability Ionic conductivities Solid electrolytes

Universal insertion of molecules in ionic compounds under pressure

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national Science Review 2024年第1期11卷 120-128页

作者： Feng Peng Yanming Ma Chris J.Pickard Hanyu Liu Maosheng Miao College of Physics and Electronic Information Luoyang Normal University Department of Chemistry and Biochemistry California State University Northridge State Key laboratory of superhard materials & Key laboratory of Material Simulation Methods and Software of Ministry of Education College of Physics Jilin University International Center of Future Science Jilin University Department of materials Science & Metallurgy University of Cambridge Advanced Institute for materials Research Tohoku University Department of Earth Science University of California Santa Barbara

Using first-principles calculations and crystal structure search methods, we found that many covalently bonded molecules such as H2, N2, CO2, NH3, H2O and CH4may react with NaC l, a prototype ionic solid,and form stable compounds under pressure while retaining their molecular structure. These molecules,despite whether they are homonuclear or heteronuclear, polar or non-polar, small or large, do not show strong chemical interactions with surrounding Na and Cl ions. In contrast, the most stable molecule among all examples, N2, is found to transform into cyclo-N5-anions while reacting with NaC l under high pressures. It provides a new route to synthesize pentazolates, which are promising green energy materials with high energy density. Our work demonstrates a unique and universal hybridization propensity of covalently bonded molecules and solid compounds under pressure. This surprising miscibility suggests possible mixing regions between the molecular and rock layers in the interiors of large planets.

关键词： molecule-solid hybrid materials high-pressure crystal structure prediction density functional theory planet interior

Unveiling the pressure-driven metal–semiconductor–metal transition in the doped TiS_(2)

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Chinese Physics B 2024年第6期33卷 63-67页

作者：陈佳骏吕心邓李思敏但雅倩黄艳萍崔田 Institute of High Pressure Physics School of Physical Science and TechnologyNingbo UniversityNingbo 315211China State Key laboratory of superhard materials College of PhysicsJilin UniversityChangchun 130012China

Conventional theories expect that materials under pressure exhibit expanded valence and conduction bands,leading to increased electrical conductivity.Here,we report the electrical properties of the doped 1T-TiS_(2) under high pressure by electrical resistance investigations,synchrotron x-ray diffraction,Raman scattering and theoretical calculations.Up to 70 GPa,an unusual metal-semiconductor-metal transition occurs.Our first-principles calculations suggest that the observed anti-Wilson transition from metal to semiconductor at 17 GPa is due to the electron localization induced by the intercalated Ti atoms.This electron localization is attributed to the strengthened coupling between the doped Ti atoms and S atoms,and the Anderson localization arising from the disordered intercalation.At pressures exceeding 30.5 GPa,the doped TiS_(2) undergoes a re-metallization transition initiated by a crystal structure phase transition.We assign the most probable space group as P2_(1)2_(1)2_(1).Our findings suggest that materials probably will eventually undergo the Wilson transition when subjected to sufficient pressure.

关键词： high pressure transition metal dichalcogenides doped TiS_(2) electronic phase transition

Ultrafast investigation of room temperature valley polarization in“optical bilayer”WS_(2)

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Science China(Technological Sciences) 2024年第1期67卷 91-97页

作者： ZHAO LeYi WANG Hai LIU TianYu LI FangFei ZHOU Qiang WANG HaiYu Synergetic Extreme Condition High-Pressure Science Center State Key Laboratory of Superhard MaterialsCollege of PhysicsJilin UniversityChangchun 130012China State Key laboratory of Integrated Optoelectronics College of Electronic Science and EngineeringJilin UniversityChangchun 130012China

Monolayer transition metal dichalcogenides(TMDCs)have become a promising platform in valleytronics due to possessing the regulatable valley degrees of freedom.While,as a result of the rapid intervalley scattering,it is difficult to measure the PL valley polarization of monolayer TMDCs at room temperature,which limits their application in valleytronics devices.Here,we report a room temperature photoluminescence(PL)valley polarization up to 3.73%in an“optical bilayer”WS_(2)formed by transferring monolayer WS_(2)onto flat Ag film.Furthermore,in the transient absorption(TA)measurements,a remarkably long valley depolarization lifetime is found.Thus,we demonstrate the valley properties of such“optical bilayer”WS_(2)resemble actual bilayer WS_(2),in which the robust valley polarization can be attributed to the phonons depletion effect and the blocked interlayer hopping processes.These peculiar valley features in“optical bilayer”WS_(2)provide a particularly simple method to enhance valley control at room temperature.

关键词： valleytronics optical bilayer transient absorption tungsten disulfide

Supramolecular Bonding Competition Enabled Nanostructure Evolution and Mechanical Reinforcement

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CCS Chemistry 2024年第1期6卷 157-164页

作者： Yuting Wang Peng Meng Aidan Brock Yanan Xu Hang Meng Zixuan Liu Kan Zhang John McMurtrie Jingsan Xu School of Chemistry and Physics and Centre for materials Science Queensland University of TechnologyBrisbaneQueensland 4000 Central Analytical Research Facility Institute for Future EnvironmentsQueensland University of TechnologyBrisbaneQueensland 4000 State Key laboratory of superhard materials Department of Materials Science and Key Laboratory of Automobile MaterialsMOEJilin UniversityChangchun 130012

In this work,competition between different supramolecular interactions is investigated based on a fibrous crystal composed of hydrogen-bonded cyanuric acid(CA)and amidinothiourea(ADT).Melamine(M)is found to prevail over ADT and bond to CA due to its stronger triple H-bonding affiliation,forming hollow microtubes assembled by oriented CAM crystalline arrays,as guided by the directionality of peripheral hydrogen bonds.Furthermore,competitive interaction between hydrogen bonding and ionic/covalent bonding is demonstrated by mixing Ag+ions with the CA-ADT fibers,where sulfur atoms are abstracted from ADT molecules to produce Ag_(2)S ligaments.The in situ-formed Ag_(2)S serves as a binding glue to generate CA-ADT/Ag_(2)S composites with significantly enhanced mechanical strength compared to the pristine CA-ADT fiber pellet.

关键词： supramolecular interaction hydrogen bonds chemical bond competition hollow crystal array organic-inorganic composite

Micelle-directed self-assembly of single-crystal-like mesoporous stoichiometric oxides for high-performance lithium storage

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national Science Review 2024年第4期11卷 195-205页

作者： Yanhua Wan Changyao Wang Xingmiao Zhang Yang Yin Mengmeng Liu Bing Ma Linlin Duan Yuzhu Ma Wei Zhang Changlin Zheng Dongliang Chao Fei Wang Yongyao Xia Wei Li Department of Chemistry Laboratory of Advanced Materials Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials State Key Laboratory of Molecular Engineering of Polymers College of Chemistry and Materials ScienceFudan University State Key laboratory of Surface Physics and Department of Physics Fudan University

Due to their uncontrollable assembly and crystallization process,the synthesis of mesoporous metal oxide single crystals remains a formidable challenge.Herein,we report the synthesis of single-crystal-like mesoporous Li2TiSiO5by using soft micelles as templates.The key lies in the atomic-scale self-assembly and step-crystallization processes,which ensure the formation of single-crystal-like mesoporous Li2TiSiO5microparticles via an oriented attachment growth mechanism under the confinement of an in-situ formed carbon matrix.The mesoporous Li2TiSiO5anode achieves a superior rate capability(148 mAh g-1at5.0 A g-1) and outstanding long-term cycling stability(138 mAh g-1after 3000 cycles at 2.0 A g-1) for lithium storage as a result of the ultrafast Li+diffusion caused by penetrating mesochannels and nanosized crystal frameworks（5-10 nm）.In comparison,bulk Li2TiSiO5exhibits poor rate capability and cycle performance due to micron-scale diffusion lengths.This method is very simple and reproducible,heralding a new way of designing and synthesizing mesoporous single crystals with controllable frameworks and chemical functionalities.

关键词： mesoporous materials micelles single-crystal-like Li2TiSiO5 lithium-ion batteries

Inducing piezoelectricity in distorted rutile TiO_(2)for enhanced tetracycline hydrochloride degradation through photopiezocatalysis

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Journal of Advanced Ceramics 2024年第3期13卷 323-331页

作者： Taotao Xia Lizhen Lu Haoyu Zhang Jinghui Wang Zonghe Huang Hongyang Wang Weiyi Yang Shuang Gao Qi Li Key laboratory of Advanced Technologies of materials(Ministry of Education) School of Materials Science and EngineeringSouthwest Jiaotong UniversityChengdu 610031China Shenyang national laboratory for materials Science Institute of Metal ResearchChinese Academy of SciencesShenyang 110016China

Various material design strategies have been developed to enhance photocatalytic performance of TiO_(2).However,no report is available on applications of the photopiezocatalysis strategy on TiO_(2)due to its lack of piezoelectricity.Here we developed a low-temperature molten salt etching process to create rutile TiO_(2)nanoparticles by etching[MgO_(6)]octahedrons away from MgTiO_(3)by molten NH_(4)Cl,during which a lattice distortion occurred in TiO_(2).The lattice distortion broke the structure symmetry of rutile TiO_(2)and subsequently endowed these rutile TiO_(2)nanoparticles with an unusual piezoelectric response with the maximum effective piezoelectric coefficient(d_(33))of~41.6 pm/V,which had not previously been found in TiO_(2)photocatalysts.Thus,the photopiezocatalysis strategy was applied for the first time to enhance the photocatalytic performance of these TiO_(2)nanoparticles.The creation of lattice distortion to induce piezoelectricity could be extended to other photocatalysts that the photopiezocatalysis strategy has not been applied to and may generate novel functionalities for various technical applications.

关键词： photocatalysis TiO_(2) piezocatalysis molten salt etching process photopiezocatalysis