Table of Content

20 January 2026, Volume 55 Issue 1

Previous Issue   

Reviews

Research Progress on Passive Q-Switched Nd³⁺-Doped Solid-State Lasers

PENG Zhangliang, SUN Guihua, ZHANG Qingli, WANG Xiaofei, LUO Jianqiao

2026, 55(1):  1-12.  doi:10.16553/j.cnki.issn1000-985x.2025.0128

Asbtract ( 39 )   HTML ( 2)   PDF (1551KB) ( 17 )  

Figures and Tables | References | Related Articles | Metrics

Trivalent neodymium ion （Nd³⁺） doped materials cover the spectral range of 0.9~1.4 μm. Based on Nd³⁺ doping， numerous laser materials have been developed. Near 0.9 μm band， frequency multiplier technology can convert the laser into blue light， which is used in display technology and biomedical imaging； near 1.06 μm band， the laser output belongs to a four-level system with high gain， making it easy to achieve high-power output， and being used for industrial laser cutting and laser surgery， and so on； near 1.4 μm band， it benefits from eye-safe properties， atmospheric transmission characteristics， gaining wide applications in high-precision lidar， biomedical applications and fine processing. Studies about infrared laser sources have been widely recognized over the past few decades due to their various potential applications. This review provides a detailed introduction to the pulsed laser performance of Nd³⁺-doped laser crystals in oxide and fluoride matrices. It also analyzes the nonlinear optical properties and application ranges of traditional saturable absorbers and emerging two-dimensional saturable absorbers. Finally， it summarizes the current research status and development trends of passive Q-switched Nd³⁺-doped solid-state lasers in relation to substrates and saturable absorbers and resonant cavities. We believe that this review will provide a deeper understanding of passive Q-switching Nd³⁺ solid lasers.

Research Progress of Photovoltaic Silicon Wafer Cutting Technology

GAO Bangzhi, HUANG Tianqi, WU Jiqing, YANG Jun, XU Hui, ZHANG Ming

2026, 55(1):  13-28.  doi:10.16553/j.cnki.issn1000-985x.2025.0076

Asbtract ( 38 )   HTML ( 2)   PDF (4132KB) ( 17 )  

Figures and Tables | References | Related Articles | Metrics

Taking the photovoltaic silicon wafer cutting technology as the research object， through literature review and comparative analysis， the main types of cutting technologies such as outer circle cutting， inner circle cutting， multi-wire cutting， electrical discharge cutting and compound cutting are introduced in detail， and their advantages and disadvantages are compared from multiple dimensions such as cutting accuracy， cutting loss and cutting efficiency. The research conclusion indicates that the multi-wire cutting technology has become the mainstream method for silicon wafer cutting and processing due to its high economic benefits， ability to cut large-sized silicon ingots， and shallow crystal defect depth. The composite cutting technology is expected to be the future development trend with its advantages of high cutting efficiency， high customizability， and low loss.

Research Articles

Optimization of LPE Growth Process of YIG Films Based on Multi-Physics Field Simulation

LYU Bowen, WU Jiayu, ZHANG Hanxu, ZHU Senyin, ZHANG Lingli, ZHANG Yumin, WANG Xianjie, SONG Bo

2026, 55(1):  29-36.  doi:10.16553/j.cnki.issn1000-985x.2025.0150

Asbtract ( 76 )   HTML ( 6)   PDF (2513KB) ( 66 )  

Figures and Tables | References | Related Articles | Metrics

With the development of optical communication technology and photonic chips， yttrium iron garnet （YIG） crystals have shown broad application prospects in optical communication systems， magneto-optical isolators and other fields due to excellent magneto-optical properties. Liquid phase epitaxy （LPE） method， as a primary technique for preparing YIG films， has attracted significant attention. The key to growing YIG films via LPE lies in the precise control of solute transport， in which uniform flow field distribution and uniform temperature field environment are critical conditions to achieve consistent mass transfer. Therefore， it is of great research importance to regulate process parameters to stabilize the temperature field and flow field， thereby facilitating the growth of high-quality YIG films. In this paper， based on the method of multi-physics field simulation， a temperature-flow coupling model of YIG crystal grown by LPE method was established. The influence of crucible rotation on melt flow， axial temperature gradient and crystal growth rate was revealed by numerical simulation. Through systematic simulation and optimization， a set of optimal process parameters are obtained： the crucible rotation speed is controlled at 55~60 r/min， which could significantly suppress the disturbance of flow field and temperature field， thus maintaining the stability of the solid-liquid interface and providing favorable conditions for the high-quality epitaxial growth of YIG crystals. This study offers valuable theoretical insights and novel strategies for process optimization of controllable growth of complex oxide crystals.

Polymorphic Structures and Crystal Growth Kinetics in TCTA Thin Films

YAO Zhiyuan, YANG Yuhui, ZUO Biao

2026, 55(1):  37-45.  doi:10.16553/j.cnki.issn1000-985x.2025.0165

Asbtract ( 9 )   HTML ( 0)   PDF (3398KB) ( 5 )  

Figures and Tables | References | Related Articles | Metrics

4，4'，4″-tri（N-carbazolyl） triphenylamine（TCTA） is a widely used organic semiconductor material in optoelectronic devices， whose crystallization behavior significantly influences device photoelectric performance. However， a comprehensive understanding of its polymorphic structures and crystal growth kinetics remains lacking. In this study， the formation conditions of polymorphs and their growth kinetics in TCTA thin films were systematically investigated using polarized optical microscopy （POM） and atomic force microscopy （AFM）. The results reveal the coexistence of two polymorphs with markedly different melting points. Notably， only Form Ⅰ with a lower melting point is observed when the film thickness is below 80 nm. Crystal growth kinetic analysis demonstrates that the low-melting-point polymorph exhibits faster growth rates and lower activation energy. This study deepens the understanding of crystallization behavior in TCTA thin films and provides valuable insights for tailoring their microstructure and homogeneity to improve the device performance.

Growth and Spectral Properties of Yb∶YAP Crystal Fibers

WANG Chen, ZHANG Jiawei, ZHANG Huali, ZHOU Shenglang, LIU Longxin, JIANG Zhengyuan, ZHANG Jun, LIU Jian, XU Xiaodong, XU Jun

2026, 55(1):  46-51.  doi:10.16553/j.cnki.issn1000-985x.2025.0175

Asbtract ( 16 )   HTML ( 0)   PDF (1566KB) ( 8 )  

Figures and Tables | References | Related Articles | Metrics

Yb³⁺-doped YAlO₃ （Yb∶YAP） crystal fibers with different doping concentrations were successfully grown using the micro-pulling-down method. X-ray diffraction （XRD） characterization verified their orthorhombic crystal structure. Absorption spectra， fluorescence spectra and fluorescence decay curves were systematically measured at room temperature. For the 2.00% （atomic fraction） doped sample， the absorption cross-section at 978 nm reaches 1.14×10^-20 cm²， while the maximum emission cross-section at 1 000 nm is 1.39×10^-20 cm²， showing good spectral compatibility with commercially available laser diodes. The measured ²F_5/2 level lifetime for 0.25%， 0.50%， 1.00%， 2.00% and 5.00%Yb∶YAP crystal fibers are 587， 604， 682， 705 and 698 μs， respectively. These results collectively indicate that Yb∶YAP crystal fibers are promising gain media for ultrafast laser applications.

Growth and Properties of 4-Inch Fe Doped (010) β -Gallium Oxide Using Vertical Bridgman Method

LI Ming, YE Haohan, WANG Cheng, SHEN Dianyu, WANG Yunxia, WANG Jiajun, XIA Ning, ZHANG Hui, YANG Deren

2026, 55(1):  52-57.  doi:10.16553/j.cnki.issn1000-985x.2025.0159

Asbtract ( 19 )   HTML ( 2)   PDF (1675KB) ( 17 )  

Figures and Tables | References | Related Articles | Metrics

In this study， a self-built vertical Bridgman （VB） system was utilized to grow large-size， high-quality Fe-doped β-Ga₂O₃ single crystals. Through iterative thermal field optimization via simulation， slightly convex solid-liquid interface and appropriate temperature gradient were achieved. The as-grown crystal was further processed into a high-quality 4-inch （010） oriented semi-insulating substrate. Comprehensive evaluations of crystallinity， surface morphology， and electrical properties were carried out. The substrate exhibits no macroscopic defects such as cracks. Multi-point X-ray rocking curve measurements show full width at half maximum （FWHM） values all below 50″， indicating superior crystalline quality. Surface topography tests reveal a maximum roughness of 0.074 nm， local thickness variation （LTV） below 3.4 μm， total thickness variation （TTV） of 4.157 μm， warp of 5.886 μm， and bow of 1.103 μm， demonstrating excellent processing quality. Moreover， the substrate displays high average resistivity of approximately 7.9×10¹⁰ Ω·cm with an in-plane inhomogeneity of about 7.77%， underscoring the effectiveness of VB method in achieving uniform doping distribution and its potential for radio frequency （RF） and microwave device applications.

Growth and Properties of Cu⁺ or Ag⁺ Co-Doped LaBr₃∶Ce Crystals

ZHAO Meili, ZONG Lei, WANG Qian, LI Yunyun, ZHANG Chunsheng, WU Yuntao

2026, 55(1):  58-67.  doi:10.16553/j.cnki.issn1000-985x.2025.0156

Asbtract ( 34 )   HTML ( 1)   PDF (4047KB) ( 11 )  

Figures and Tables | References | Related Articles | Metrics

LaBr₃∶Ce crystals are recognized as representative high-performance scintillators due to their outstanding properties such as high light yield， excellent energy resolution， and fast decay time， demonstrating significant application potential in fields including nuclear radiation detection and medical imaging. In this study， Cu⁺ or Ag⁺ co-doped LaBr₃∶Ce crystals were successfully grown by the Bridgman method， and the effects of different Cu⁺ or Ag⁺ co-doping concentrations on their luminescence and scintillation performances of LaBr₃∶Ce crystals were systematically investigated. The results show that under both photoluminescence and X-ray excitation， neither Cu⁺ nor Ag⁺ co-doping alters the luminescence mechanism of the crystals. All samples exhibit the 5d→4f characteristic emission of Ce³⁺ in the range of 325~425 nm. In terms of scintillation performance， the light yields and energy resolutions of Cu? co-doped crystals are comparable to those of undoped sample. Specifically， the LaBr₃∶Ce，0.2%Cu crystal achieves an energy resolution of 2.8% at 662 keV. In contrast， Ag⁺ co-doping leads to a significant decrease in the light yield of crystal. The LaBr₃∶Ce，0.2%Ag crystal exhibits an energy resolution deteriorated to 4.5% at 662 keV. These findings indicate that neither Cu⁺ nor Ag⁺ co-doping strategy improves the scintillation performance of LaBr₃∶Ce， providing an important experimental guidance for the selection of future doping strategies in this system.

Effect of Thermal Shield Structure on the Growth of 400 mm Diameter Czochralski Monocrystalline Silicon

AI Jincai, YANG Pingping, ZHAO Ziwei, GAO Mangmang

2026, 55(1):  68-76.  doi:10.16553/j.cnki.issn1000-985x.2025.0133

Asbtract ( 48 )   HTML ( 1)   PDF (5162KB) ( 40 )  

Figures and Tables | References | Related Articles | Metrics

Monocrystalline silicon is one of the key materials for the preparation of semiconductors. Driven by the need to reduce costs， large diameter and fast crystal pulling technology is one of the development trends in the preparation of monocrystalline silicon by Czochralski method. In this paper， a double thermal shield structure was proposed， and the effects of the double thermal shield structure on the temperature and gas flow fields， the melt-crystal interface， the growth rate of monocrystalline silicon， thermal stresses， and point defects during the growth of monocrystalline silicon were analyzed. The results demonstrate that the double thermal shield structure can guide the flow of argon gas near the solid-liquid interface， suppress vortex formation on the outer side of the thermal shield， enhance heat dissipation from the crystal， and consequently increase its growth rate， with a maximum improvement of 19.2%. At the same time， the double thermal shield structure also improves the melt-crystal interface fluctuation， and the maximum thermal stress is reduced by 4.266 MPa compared with the single thermal shield structure. Therefore， the double thermal shield structure has a better application prospect.

Effect of Y₂O₃ on Optical and Mechanical Properties of MgAl₂O₄ Transparent Ceramics

TENG Man, LIU Qinghui, LIU Peng, LI Bin, WANG Haili

2026, 55(1):  77-84.  doi:10.16553/j.cnki.issn1000-985x.2025.0147

Asbtract ( 17 )   HTML ( 2)   PDF (4492KB) ( 14 )  

Figures and Tables | References | Related Articles | Metrics

Magnesium aluminate spinel （MgAl₂O₄） transparent ceramics exhibit superior properties including broad optical transmission range， high mechanical strength， and excellent thermal stability， demonstrating significant application potential in the fields of transparent armor， infrared windows， and fairing. However， the diffusion coefficient of oxygen ions in MgAl₂O₄ is relatively low， and the sintering densification is difficult. Therefore， sintering aid is often introduced during the sintering process. Rare earth sesquioxides， being resistant to volatilization at high temperature， have been shown to effectively promote the densification of MgAl₂O₄ ceramics. This study employed commercially available MgAl?O? powder as the raw material and Y₂O₃ as the sintering aid. The MgAl₂O₄ transparent ceramics were successfully prepared through a combination of pressureless presintering and hot isostatic pressing （HIP）. The microstructure， optical and mechanical properties were systematically characterized and analyzed by scanning electron microscopy （SEM）， UV-Vis-NIR spectrophotometry， and universal testing machine. The results indicate that the MgAl₂O₄ ceramics doped with 0.020%（mass fraction） Y₂O₃ prepared by pressureless presintering at 1 525 ℃ and HIP at 1 600 ℃， the prepared sample exhibits optimal transmittance. The transmittance at 550 and 3 000 nm reaches 84.5% and 87.8%， respectively， while the flexural strength reaches 333.2 MPa. Compared with the undoped Y₂O₃ samples， the average grain size of the MgAl₂O₄ ceramics doped with 0.020% Y₂O₃ decrease from 8 μm to 4 μm， and the flexural strength is increase by 9.79%.

Fabrication of Magnesium-Aluminate Spinel Transparent Ceramics by Two Cycles of Hot Pressing Sintering Method

LEI Muyun, WANG Ying, LING Hao, WANG Haili, LI Zhen, ZHANG Lisheng

2026, 55(1):  85-92.  doi:10.16553/j.cnki.issn1000-985x.2025.0174

Asbtract ( 32 )   HTML ( 1)   PDF (5055KB) ( 20 )  

Figures and Tables | References | Related Articles | Metrics

In this study， high-purity （99.999%） magnesium-aluminate spinel （MgAl₂O₄） powder was used to fabricate transparent magnesium-aluminate spinel ceramics through a two cycles of hot pressing sintering method combined with hot isostatic pressing （HIP）. The first hot pressing was conducted at a relatively low temperature using a hot pressing mold， while the second hot pressing step was performed at a higher temperature without a mold. The morphology of the powder and the fracture surface of the ceramic samples were observed using SEM， and the optical transmittance of the ceramics were measured. Compared to conventional hot pressed transparent ceramics， the samples prepared by two cycles of hot pressing sintering exhibit slight differences in their fracture surface microstructure， while their transmittance remains comparable. The ceramics exhibit transmittance exceeding 80% over most wavelengths from visible to mid-wave infrared spectrum. The two cycles of hot pressing sintering method enables the production of larger transparent ceramics using relatively small hot pressing molds and equipment.

Preparation of BST-BZT Laminated Relaxor Ferroelectric Ceramics and Their Electrocaloric Effect

XUE Fei, TIAN Yahui, JIN Ling

2026, 55(1):  93-102.  doi:10.16553/j.cnki.issn1000-985x.2025.0112

Asbtract ( 16 )   HTML ( 0)   PDF (5888KB) ( 7 )  

Figures and Tables | References | Related Articles | Metrics

Lead-free relaxor ferroelectric based laminated ceramics are one of the important choices for environmentally friendly electrocaloric solid-state refrigeration devices. In this study， the x（Ba_0.65Sr_0.35）TiO₃-（1-x）Ba（Zr_0.2Ti_0.8）O₃（0.8BST-0.2BZT， x=0.8； 0.2BST-0.8BZT， x=0.2） thick films were prepared via tape-casting process， and the laminated ceramics of 0.8BST-0.2BZT/0.2BST-0.8BZT/0.8BST-0.2BZT were constructed using a stacking process. Meanwhile， 0.8BST-0.2BST and 0.2BST-0.8BZT ceramics were prepared by solid-state reaction for comparison， and their microstructure， dielectric temperature characteristics， ferroelectricity， and electrocaloric effects were studied. The research results indicate that laminated ceramics have more pronounced dielectric relaxation characteristics and larger polarization difference （P_s-P_r）. The significant electrocaloric effect （ΔT=0.9 K） and wide broad working temperature span （T_span=50 ℃） of laminated ceramics were measured using indirect measurements under an electric field of 50 kV/cm. This result is further verified by direct measurements under 25 kV/cm， and significant electrocaloric temperature change （ΔT=0.25 K） and T_span （>45 ℃） were observed. This work demonstrates that the developed laminated ceramics possess excellent temperature stability and wide temperature range adaptability， showing great potential for electrocaloric cooling applications.

Optical Properties of All-Inorganic Perovskite Cesium Tin Bromide

LIANG Yongfu, YANG Yuping, CHENG Xuerui

2026, 55(1):  103-110.  doi:10.16553/j.cnki.issn1000-985x.2025.0154

Asbtract ( 42 )   HTML ( 1)   PDF (2672KB) ( 17 )  

Figures and Tables | References | Related Articles | Metrics

Safe and environmentally friendly tin-based perovskite materials are emerging as promising lead-free alternatives due to their stable and excellent properties. This study focuses on the structure-property relationship of the all-inorganic tin-based perovskite CsSnBr₃. The structural stability and phase transition behavior of this material over the temperature range from 123 K to 673 K were investigated using variable-temperature X-ray diffraction combined with Rietveld refinement and thermogravimetric analysis. CsSnBr₃ exists as the Pm\bar{\mathrm{3}}m phase between 298 K and 673 K， transforms into the P4/mbm phase at 253 K， and finally converts to the Pnma phase at 123 K. Ultraviolet-visible absorption spectroscopy and density functional theory calculations collectively reveal that the material possesses a direct band gap of 1.67 eV. The conduction band minimum is primarily constituted by Sn-5p and Br-4p orbitals， while the valence band maximum originates mainly from Br-4p orbitals. Temperature-dependent photoluminescence （PL） spectra indicate that the PL intensity of CsSnBr₃ enhances fourfold at 113 K. This phenomenon is likely attributed to the suppression of phonon scattering at low temperatures， leading to reduced non-radiative recombination. This study provides a solid thermodynamic basis for the development of high-efficiency lead-free perovskite solar cells suitable for high-temperature conditions.

Performance Optimization of Perovskite Solar Cells Based on the Novel Hole-Transport Layer V₂O₅

WANG Chuankun, DING Xiya, LIU Bangzhen, HAO Yanling

2026, 55(1):  111-119.  doi:10.16553/j.cnki.issn1000-985x.2025.0129

Asbtract ( 5 )   HTML ( 0)   PDF (4675KB) ( 6 )  

Figures and Tables | References | Related Articles | Metrics

V₂O₅ has outstanding stability， superior optical and electrical properties， and cost-efficient. This material can significantly enhance the photoelectrical performance of solar cells and represents an innovative type of hole-transport layer material. A perovskite solar cell featuring the architecture of FTO/ZnO-NR/ CH₃NH₃Pb（I_1-x Cl _x ）₃/V₂O₅/C was meticulously designed utilizing the SCAPS-1D simulation software. Through systematic optimization and adjustment of the thickness and band gap of the CH₃NH₃Pb（I_1-x Cl _x ）₃ material， it was determined that the maximum photoelectrical conversion efficiency （PCE） of 26.95% was achieved when the thickness and band gap were 0.8 μm and 1.5 eV， respectively. Concurrently， the influences of the ZnO-NR doping concentration and the interfacial defects at the CH₃NH₃Pb（I_1-x Cl _x ）₃/V₂O₅ on device performance were also investigated.

Synthesis of Zinc-Based Complex and Exploration of Fluorescence Sensing Performance for Fe³⁺ in Aqueous Solutions

GUO Xinyu, CHEN Wei, YAO Wei, GAO Enjun

2026, 55(1):  120-127.  doi:10.16553/j.cnki.issn1000-985x.2025.0145

Asbtract ( 19 )   HTML ( 0)   PDF (2953KB) ( 8 )  

Figures and Tables | References | Related Articles | Metrics

A novel zinc-based complex， Zn₂（H₂PZTC）₂·0.08DMSO·4C₂H₇N·2H₂O （complex 1，H₄PZTC=pyrazine-2，3，5，6-tetracarboxylic acid， C₈O₈N₂H₄， DMSO=dimethyl sulfoxide， C₂H₆SO）， was successfully synthesized via the solvothermal method using zinc nitrate and pyrazine-2，3，5，6-tetracarboxylic acid as raw materials. The structure of the complex 1 was characterized by single crystal X-ray diffraction， powder X-ray diffraction， infrared spectroscopy and thermogravimetry analysis. The zinc ions formed two secondary building units through protonated pyrazine-2，3，5，6-tetracarboxylic acid in complex 1. The building units interlace to form a two-dimensional layered structure， which further assembles into a three-dimensional supramolecular structure through weak hydrogen bond interactions. Fluorescence studies reveal that complex 1 exhibits competitive absorption toward Fe³⁺ resulting in significant fluorescence quenching and a low detection limit for Fe³⁺.

Theoretical Study on Influence of Shear Strain on Electronic Structure and Optical Properties of Mn Doped MoS₂

KONG Jiaxu, LIN Xueling, PAN Fengchun

2026, 55(1):  128-141.  doi:10.16553/j.cnki.issn1000-985x.2025.0185

Asbtract ( 5 )   HTML ( 0)   PDF (3828KB) ( 9 )  

Figures and Tables | References | Related Articles | Metrics

Performed the CASTEP code based on the density functional theory （DFT），the crystal structures，electronic structures and optical properties of Mn doped monolayer MoS₂ were_{studied in this paper，the regulation of shear strain on electronic structures and optical properties of （Mo， Mn）S2 systems were systematically investigated. The results show that the formation energy of MnMo defect is the smallest for substituted defects in Mn doped MoS2. The introduction of MnMo defect reduces the band gap MoS2 and improves the absorption ability of doped system for visible and infrared photons. Because of the appearance of impurity energy levels induced by MnMo，the absorption edge of optical absorption spectrum of doped system falls in the infrared region. When the shear strain is applied， the band gap of the doped system changes， which affect the optical properties of Mn doped MoS2 system. The band gap of doped system under different shear strains is related to the magnitude of crystal field splitting energy. Under the shear strain of -4%，the triangular prism crystal field formed by the six S atoms around Mn atom has a relatively small effect on Mn-3d electrons，and the band gap of Mn doped MoS2 system is 0.42 eV，which means the energy required to absorb photons for the valence band top electrons to transition to the conduction band bottom pairs is the smallest. The Mn doped MoS2 system under shear strain shows the best improvement in the absorption ability of photons in the infrared region with the maximum absorption amplitude.The application of shear strain has an effect on the complex dielectric function and reflection coefficient of the doped system. The application of negative shear strain is beneficial to improve the complex dielectric function of doped system in the low-energy region，promote the transition probability of valence electrons and the separation of photogenerated electron hole pairs in doped system，which result in significant improvement in the photocatalytic performance of doped system. Moreover，the optical properties of doped system are also related to the doping concentration of MnMo defects. Under the shear strain of -4%，the optical absorption amplitude of the system uniformly doped with four MnMo is the largest in the visible and infrared light regions， and the corresponding MnMo doping mole fraction is 5.3%. This results provide a new approach for the application of MoS2 in the field of optics.}

First-Principles Study on Two-Dimensional Monolayer TiCuX₂ (X=S, Se, Te)

LIANG Zhiqiang, CHANG Rong

2026, 55(1):  142-150.  doi:10.16553/j.cnki.issn1000-985x.2025.0059

Asbtract ( 7 )   HTML ( 1)   PDF (5349KB) ( 8 )  

Figures and Tables | References | Related Articles | Metrics

In order to explore the influence of the number of transition metal atoms on the magnetic properties of two-dimensional magnetic materials， and to find magnetic two-dimensional materials with excellent properties， based on density functional theory， with the aid of first-principles calculation software VASP， a systematic theoretical study of two-dimensional monolayer TiCuX₂ （X=S， Se， Te） was carried out. The electronic structure， stability， magnetism， atomic exchange interaction and Curie temperature of three materials of TiCuX₂ （X=S， Se， Te） were calculated. The stability of three materials are proved by the calculation results of formation energy and phonon spectrum. The electronic structure and magnetic calculation analysis show that the three materials exhibit semi metallic ferromagnetism except TiCuX₂ which is magnetic. In addition， based on PBE+U and hybrid functional theory， a deeper theoretical study of the three materials were carried out in this paper， and the results show that the magnetic moments of three structures are all integer magnetic moments of 1 μB， and three materials remain magnetic. Finally， based on the Heisenberg model and the exchange of mutual parameters， the Curie temperatures of three structures were calculated by Monte Carlo method.

Enhancing Lithium Storage Performance of Pseudocapacitive MoO₃@MXenes Composites

CHEN Bingsong, LUO Xiangsheng, CAI Pingxiong, CHAO Huixia

2026, 55(1):  151-160.  doi:10.16553/j.cnki.issn1000-985x.2025.0144

Asbtract ( 5 )   HTML ( 0)   PDF (5363KB) ( 5 )  

Figures and Tables | References | Related Articles | Metrics

The further development of lithium-ion battery performance is restricted by the limited theoretical specific capacity of commercial graphite， thus highlighting the urgent need to develop lithium-ion battery anode materials with high specific capacity. Transition metal molybdenum oxide （MoO₃） has attracted considerable attention owing to its advantages of high theoretical specific capacity and low cost. However， MoO₃ has problems such as poor electronic conductivity， volume expansion and structural collapse during repeated charge-discharge cycles， which limits its further application. In this paper， the precursor of MoO₃ was in-situ grown on Ti₃C₂X MXenes nanosheets by thermal synthesis strategy to construct MoO₃@MXenes composites for electrochemical lithium storage. The results show that Ti₃C₂X MXenes as a substrate improves the electronic conductivity of MoO₃， inhibits the volume expansion of MoO₃ during charge-discharge cycles， and enhances the pseudocapacitive characteristics， rate performance and cycle stability of MoO₃. The contribution rate of MoO₃@MXenes composites is 85.6% at a scan rate of 1.2 mV·s^-1. After 800 charge-discharge cycles at a current density of 1.0 A·g^-1， MoO₃@MXenes composites still have a high specific capacity of 565 mA·h·g^-1. When the current density is increased by 40 times， the capacity retention rate is 47.5%. The MoO?@MXene composite developed in the study is mainly based on pseudocapacitive eneray storage， with low charge-transfer resistance， excellent rate performance and cycling stability. This synthesis strategy of the composite material offers a new method for molybdenum oxide electrode materials.