Journal of Synthetic Crystals

Fabrication of ϕ60 mm Large-Size Infrared Nonlinear BaGa₄Se₇ Crystals and Devices

WANG Zhenyou, MAO Changyu, CHEN Weihao, XU Junjie, YU Xuezhou, WU Haixin

2025, 54(6): 909-911. doi:10.16553/j.cnki.issn1000-985x.2025.6001

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Barium gallium selenide （BaGa₄Se₇， BGSe） crystal is a novel infrared nonlinear optical material with excellent comprehensive properties. The current research priority lies in the preparation of large-size， high-quality BGSe crystals. The synthesis of high-purity BGSe polycrystalline raw materials over 500 g was achieved in a single batch using a two-temperature zone synthesis furnace. Subsequently， BGSe crystal boules with a diameter of ϕ60 mm were successfully grown via an modified Bridgman method. Through orientation， cutting， and polishing processes， laser frequency conversion devices measuring over 10 mm×10 mm×50 mm were fabricated. The prepared crystals and devices represent the largest dimensions reported to date， providing critical material and component support for mid- to long-wave infrared laser output.

Research Progress on Thermal Annealing Technologies of CZT Crystals

WU Xiao, ZHAO Wen, QI Wenbin, SONG Linwei, LI Xiangkun, JIANG Jun, KONG Jincheng, WANG Shanli

2025, 54(6): 912-923. doi:10.16553/j.cnki.issn1000-985x.2025.0024

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Cadmium zinc telluride （CdZnTe， CZT） crystals are highly valued in room-temperature radiation detection and HgCdTe infrared detection due to their exceptional physical properties. However， point defects， secondary phases， and dislocations formed during CZT crystals growth process significantly impact crystal quality and device performance. Research shows that well-designed annealing techniques can effectively reduce secondary phase density， control point defect concentrations， and improve crystal resistivity and carrier mobility-lifetime products. This review analyzes the mechanisms of defect formation in CZT crystals and systematically evaluates advancements in annealing technologies， including isothermal， gradient， step， device， in-situ， and solution annealing. The review also compares the merits and demerits of these annealing technologies and their effects on CZT performance， offering a guide for researchers. Future studies should focus on deepening annealing mechanism insights， developing new technologies， optimizing interface engineering， and implementing intelligent technologies to further enhance CZT crystal performance for high-performance radiation and infrared detection applications.

Research Progress on Application of Machine Learning in Molecular Beam Epitaxy Growth

YANG Zaihong, ZHOU Can, FAN Liuyan, ZHANG Yanhui, CHEN Zezhong, CHEN Pingping

2025, 54(6): 924-934. doi:10.16553/j.cnki.issn1000-985x.2024.0272

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In recent years， artificial intelligence has been widely applied in the field of materials， and the application of machine learning in molecular beam epitaxy （MBE） has attracted attention. Intelligent recognition and feedback based on in-situ reflection high-energy electron diffraction （RHEED） and related material properties in MBE technology can significantly improve the quality and efficiency of material growth， leading to the realization of intelligent epitaxy of epitaxial films. This article focuses on the application of machine learning in MBE. It first introduces commonly used machine learning algorithm models in MBE， and explains the application of machine learning in optimizing growth conditions and specifically summarizes the research progress on machine learning based on RHEED images for different material systems （semiconductor thin films and quantum structure materials， oxide materials， and two-dimensional materials）. A summary and outlook were provided on the existing problems and future development strategies.

Growth and Spectral Properties of Er∶CNGG Crystals by the Micro-Pulling-Down Method

CHEN Zihang, WANG Xiaodan, LIU Jian, LIU Peng, XU Xiaodong, XU Jun

2025, 54(6): 935-941. doi:10.16553/j.cnki.issn1000-985x.2025.0022

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Er∶CNGG crystals with the doping concentration （atomic fraction） of 0.3%， 2.0%， 3.0% and 5.0% were grown by the micro-pulling-down method. The crystal structure was tested by X-ray diffraction （XRD）， and the results show that the crystal structure is cubic. The absorption spectra， fluorescence spectra and fluorescence decay curves of Er∶CNGG crystals were measured at room temperature. The absorption coefficient of 5.0% Er∶CNGG crystal is 1.70 cm^-1 at 968 nm， with a full width at half maximum （FWHM） of 17.5 nm， which matches well with the commercial laser diode pumping sources. The strongest emission peak of 5.0% Er∶CNGG crystal is located at 2 709 nm with FWHM of 17.3 nm. The lifetime of ⁴I_13/2energy level of 0.3%， 2.0%， 3.0% and 5.0% Er∶CNGG crystals are 5.97， 6.30， 6.46 and 5.73 ms， respectively. The results show that Er∶CNGG crystal is a potential gain medium for laser at around 2.7 μm.

Effect of Cable Diameter on Growth Stability of Large-Size Czochralski Silicon Crystals

ZHU Litao, LIU Lei, YUAN Shuai, ZHOU Shenglang, ZHANG Huali, WANG Chen, GAO Yu, CAO Jianwei, YU Xuegong, YANG Deren

2025, 54(6): 942-948. doi:10.16553/j.cnki.issn1000-985x.2025.0027

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The development of the Czochralski （Cz） method for growing monocrystalline silicon has facilitated the production of larger crystals. Currently， in the repetitive Cz process， the weight of final crystal in a single furnace typically reaches 600~800 kg， exceeding the engineering load limit of pulling cable in established technologies. This paper reports stability issues arising from increasing the diameter of pulling cable during equipment upgrades， along with corresponding solutions. The study reveals that the increased rigidity of the thicker cable causes seed crystal tilting， which leads to ridge line deviation under low-load conditions and elevates the risk of neck fracture under high-load conditions. Through controlled variable experiments， this work confirms that the stability issues in crystal growth after cable thickening primarily stem from seed crystal tilting. Furthermore， numerical simulation methods were employed to analyze the stress distribution mechanisms induced by seed tilting. Ultimately， stability in crystal growth was successfully restored by adding counterweights.

Power Consumption and Heat Transfer Paths in Czochralski Silicon Crystal Growth under the Influence of Heat Shield

QI Chao, LI Dengnian, LI Zaoyang, YANG Yao, ZHONG Zeqi, LIU Lijun

2025, 54(6): 949-959. doi:10.16553/j.cnki.issn1000-985x.2024.0320

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Silicon crystal， as the primary raw material for solar cells， plays a critical role in determining solar cells manufacturing costs. Consequently， reducing power consumption during monocrystalline silicon growth is pivotal for cost reduction and efficiency improvement in the photovoltaic industry. This study develops a global three-dimensional （3D） numerical model for the Czochralski （CZ） silicon growth， considering non-axisymmetric components such as heaters and electrodes in the CZ furnace. This modeling approach allows for more precise simulations of fluid flow and heat transfer in the CZ furnace. Based on the numerical model， the influence law of the emissivity of cold and hot side in heat shield on power consumption distribution and heat transfer paths of radiation， convection， and conduction in the CZ furnace was analyzed. The results indicate that reducing the emissivity on both cold and hot side significantly decreases power consumption， with a more pronounced effect observed on the cold side. In terms of radiative heat transfer， reducing the heat shield emissivity decreases the heat absorbed by the graphite crucible and the hot side of heat shield， as well as the heat releasing from the silicon melt and the cold side of heat shield. Furthermore， a slight increase in heat absorption by the top insulation is observed when the emissivity of the hot side is reduced. In terms of convective heat transfer， the reduction in cold side emissivity increases the heat absorbed by the water-cooling jacket， and the heat releasing from the cold side of heat shield. In contrast， the impact of hot side emissivity on convective heat transfer is comparatively minor. In terms of conductive heat transfer， lowering the emissivity on both sides of heat shield decreases heat conduction from the hot to cold side of heat shield， as well as from the graphite crucible to the quartz crucible， and from the quartz crucible to the silicon melt. These results provide critical theoretical insights for the precise and deep optimization of energy-saving strategies in industrial CZ furnaces.

Fine Modulation of Internal Point Defects in CZT Crystals Grown by the Traveling Heater Method

YU Chao, ZHANG Bo, WANG Qiqi, WANG Xi, HU Yunan, LIANG Xiaoyan, ZHANG Jijun, MIN Jiahua, WANG Linjun

2025, 54(6): 960-969. doi:10.16553/j.cnki.issn1000-985x.2024.0321

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There are a large number of intrinsic point defects and related composite defects in the growing CdZnTe （CZT） crystal. It is crucial to obtain information on these point defects and their effects. This article designs high-temperature Cd atmosphere annealing of CZT crystals， and controls the degree of atomic diffusion through annealing time to regulate the distribution of sample point defects. For Te-rich CZT crystals grown by the traveling heater method （THM）， multiple advanced techniques， including photo-induced current transient spectroscopy （PICTS）， low-temperature photoluminescence （PL）， I-V tests and alpha-induced transient charge analysis， were utilized to investigate the relationship between the point defect distribution and various optoelectronic properties such as resistivity， carrier mobility and charge collection efficiency. The point defect measurement results indicate that Te_Cd defects dominate in the as-grown sample， with a concentration of 4.47×10¹³ cm^-3 and a capture cross-section of 9.34×10^-16 cm². After 24 h of Cd annealing， the defect distribution changes， and Cd_i defects gradually become dominant， reaching a concentration of 4.49×10¹³cm^-3 with a reduced capture cross-section of 5.82×10^-19 cm². The electrical performance test results indicate that the carrier mobility and charge collection efficiency are related to the total concentration of CZT point defects， the internal electric field is determined by the Te_Cd with the largest capture cross-section. Samples that were annealed under Cd vapor for 6 h are characterized by high charge collection efficiency， high mobility （697 cm²·V^-1·s^-1） and uniform internal electric field distribution， though the resistivity is relatively low. During the diffusion process， the positions of V_Cd and Te_Cd are preferentially occupied by Cd atoms， leading to an exponential decrease in the concentration of A-centers and Te_Cd， which is regarded as the main cause for the reduction in resistivity.

Sidewall Repair Improves Optical Power Density of 237 nm AlGaN-Based Micro-LEDs

HAO Jialong, LI Hongbo, LYU Shunpeng, ZHU Licai, SUN Wenchao, ZHANG Ruojia, LIU Zhongxu, JIANG Ke, BEN Jianwei, ZHANG Shanli, SUN Xiaojuan, LI Dabing

2025, 54(6): 970-978. doi:10.16553/j.cnki.issn1000-985x.2024.0274

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AlGaN-based deep ultraviolet Micro-LEDs have important applications in maskless lithography， deep ultraviolet non-line-of-sight communication and other fields. However， the sidewall effect and current crowding effect seriously restrict the optical power density of Micro-LEDs under high current density. In this work， 237 nm deep ultraviolet Micro-LEDs with mesa radiuses of 12.5， 25.0 and 50.0 μm were prepared， and the effects of sidewall repair on different sized and different arrayed Micro-LEDs were systematically studied. It is revealed that KOH solution effectively reduces the sidewall defect density of AlGaN-based deep ultraviolet Micro-LEDs， and contributes to a lower reverse leakage current density and Shockley-Read-Hall （SRH） non-radiative recombination caused by these sidewall defects. For single mesa devices， a smaller sized device owns a higher maximum optical power density， but the sidewall effect seriously restricts the optical power density of the smaller sized device， resulting in the lowest optical power density of the 12.5 μm sized device at low current density. After sidewall repair， the peak optical power density of the 12.5 μm sized device increases by 186%， and the optical power density is the highest at all current density range. For arrayed devices with an identical mesa area， after the sidewall repair， a bigger matrix contributes to a higher optical power density. The peak optical power density of the 4×4 arrayed 12.5 μm sized Micro-LED increases by 116% compared to the 50 μm sized device. The underlying reason is that a bigger matrix can improve the uniformity of current density distribution and the light efficiency while maintaining low sidewall defects. This study is helpful to improve the optical power density of Micro-LEDs and will promote the practical application of short-wavelength deep ultraviolet Micro-LEDs.

Effect of MOCVD Carrier Gas Flow Rate on GaN Epitaxial Growth

LI Yazhou, MA Zhanhong, YAO Weizhen, YANG Shaoyan, LIU Xianglin, LI Chengming, WANG Zhanguo

2025, 54(6): 979-985. doi:10.16553/j.cnki.issn1000-985x.2025.0013

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The GaN thin film was grown on a 6-inch Si （111） substrate using a metal-organic chemical vapor deposition （MOCVD） system. The microstructure， surface morphology， and crystal quality of the GaN thin film were characterized by techniques such as spectroscopic ellipsometer， high-resolution X-ray diffraction， scanning electron microscopy， atomic force microscopy and transmission electron microscopy. The influence of variations in carrier gas flow rate during GaN growth on the uniformity and crystal quality of the film was investigated. The results indicate that as the H₂ flow rate increases， the precursor reaches the substrate surface more rapidly， enhancing the surface reaction and consequently increasing the growth rate of GaN. However， excessively high H₂ flow rates causes some of the mixed gases to participate in the GaN growth for insufficient time， leading to a saturation of the growth rate when the H₂ flow rate reaches 39 slm （standard liter per minute）. While increasing the H₂ flow rate also enhances the migration rate of Ga atoms， further increases up to 48 slm do not yield a smoother surface. The AlGaN buffer layer exhibits a V-shaped pit structure， with most dislocations being bent， annihilated， and prevented from extending into the GaN layer. This results in a growth process resembling lateral overgrowth， which improves the crystal quality of the GaN to some extent.

Effect of Substrate Type on Stress and Crystallinity of Growing Polycrystalline Diamond Film

LI Xiang, CHEN Gen, SHEN Jie, ZHU Minghui

2025, 54(6): 986-996. doi:10.16553/j.cnki.issn1000-985x.2025.0019

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Various substrate materials exert distinct influences on the crystallinity and stress of polycrystalline diamond films. This study investigates the impact of three substrates （W， Si， and Mo） on the stress and crystallinity of polycrystalline diamond films synthesized using microwave plasma chemical vapor deposition （MPCVD）. Initially， to mitigate edge effects， numerical simulations and optical emission spectroscopy （OES） were employed to optimize and validate that the optimal base height for diamond film deposition is 16 mm. Growing polycrystalline diamond films under the same process conditions， the crystallinity and quality of diamond films deposited on these three substrates were evaluated via Raman spectroscopy and scanning electron microscopy （SEM）. It is found that all diamond films exhibit a （111） orientation， with the W substrate yielding superior crystallinity uniformity. X-ray diffraction （XRD） stress analysis reveals that the polycrystalline diamond film deposited on the W substrate demonstrated uniform stress distribution from center to edge， with minimal stress levels. Consequently， a polycrystalline diamond film with a diameter of 50.8 mm， thickness of 0.6 mm， and deposition time of 200 h is successfully deposited on the W substrate， featuring few impurity defects， no cracks， and a full width at half maximum（FWHM） ranging from 8.156 cm^-1 to 8.715 cm^-1 from center to edge. Transmission electron microscopy （TEM） detected a d-spacing of 0.206 nm for the （111） crystal planes. These findings indicate that the W substrate is more suitable for depositing polycrystalline diamond films intended for optical， thermal， and electronic applications compared to Si and Mo substrates. This research provides valuable insights for the deposition of large-size， low-stress， high-crystallinity polycrystalline diamond films and the application of microwave windows in nuclear fusion tokamak devices.

Growth of LiGa₅O₈ Single Crystal Thin Films and Their Conductive Mechanism by the Mist-CVD Method

ZHAO Hao, YU Bowen, LI Qi, LI Guangqing, LIU Yiyuan, LIN Na, LI Yang, MU Wenxiang, JIA Zhitai

2025, 54(6): 997-1004. doi:10.16553/j.cnki.issn1000-985x.2025.0002

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The phenomenon of facile n-type doping and the challenges associated with p-type doping are frequently observed in wide-bandgap oxide semiconductors. LiGa₅O₈ is an innovative oxide semiconductor material which is theoretically amenable to bipolar doping. Remarkable properties are exhibited by LiGa₅O₈， positioning it as a promising candidate in the realm of oxide semiconductor optoelectronics， with the potential to advance the development of high-performance PN homojunctions and other bipolar devices. In this study， unintentionally doped high-quality single crystal LiGa₅O₈ thin films were synthesized by the mist-chemical vapor deposition （mist-CVD） method， and their quality， optical and electrical properties were meticulously measured and characterized. The experimental results indicate that the synthesized LiGa₅O₈ thin films exhibit excellent quality and crystallinity， with a thickness of 484 nm， small surface roughness （Rq=2.48 nm， Ra=1.73 nm）， and an optical bandgap of 5.22 eV， with a chemical composition ratio of Li， Ga， and O approximately 1∶5∶8. The films are characterized by n-type conductivity， with conductivity diminishing as lithium content increases， while p-type conductivity is not observed. The photodetectors prepared using the obtained LiGa₅O₈ thin films demonstrate favorable I-V and I-t characteristics under 254 nm illumination. Theoretical calculations of the band structure suggest that achieving p-type doping in LiGa₅O₈ is more challenging than n-type doping. By analyzing the intrinsic defects GaLi and LiGa in the oxygen-rich conditions of LiGa₅O₈， it is found that the formation energy of GaLi defects is exceptionally low， introducing shallow donor energy levels， thus resulting in the n-type conductive characteristics of the films； simultaneously， as the proportion of Li increases， Ga_Li defects compensate for Li acceptors， leading to negligible conductivity in the films. Future endeavors will encompass doping with elements such as Si， Ge and P， with the objective of obtaining higher carrier concentration LiGa₅O₈ crystal thin film materials.

Inhibition of the Growth of Calcium Oxalate Monohydrate by Glycyrrhizic Acid

REN Yaqi, WANG Lei, LI Huimin, QU Yaqian, HAN Peizhuo, TAO Xutang

2025, 54(6): 1005-1012. doi:10.16553/j.cnki.issn1000-985x.2025.0017

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Calcium oxalate monohydrate （COM） is the main component of kidney stones. This study explores the inhibitory effects of glycyrrhizic acid （GlA）， a multifunctional natural compound， on the crystallization process of COM and elucidates its mechanism of action. The crystallization kinetics of COM were examined by a calcium ion selective electrode， the impact of GlA on the size and morphology of COM crystals was quantitatively assessed through optical microscopy and scanning electron microscopy. Additionally， molecular simulations were employed to calculate the adsorption energy of GlA molecules on the COM crystal surface. The findings indicate that GlA serves as a highly effective inhibitor of COM crystallization， with the degree of inhibition positively correlating with GlA concentration. This inhibition is attributed to the specific adsorption of GlA on the ｛021｝ and ｛12 $\overset{ˉ}{1}$ $1 ˉ$ ｝surfaces of COM， which significantly reduces the crystal aspect ratio. During the COM crystallization process， GlA plays a dual role： it complexes with Ca²⁺ in solution， thereby reducing their effective concentration， and it adsorbs onto the crystal surface via COO^-_（COM）…Ca²⁺…^-OOC_（GlA） interactions， hindering further crystal growth. These findings provide new ideas and potential therapeutic strategies for the prevention and treatment of kidney stones.

Construction of Drug Delivery System Based on SBA-15 Mesoporous Silica to Improve the Dissolution of Aniracetam

MU Hanqing, LYU Jiangwei, WANG Pengguang, YU Keche, GAO Guangyu, ZHANG Wenjun

2025, 54(6): 1013-1020. doi:10.16553/j.cnki.issn1000-985x.2025.0023

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In order to improve the solubility and dissolution of insoluble drug aniracetam （ANI）， SBA-15 mesoporous silica carrier was prepared using P123 as template， and the pore-expanded L-SBA-15 carrier with enlarged pore size was obtained using 1，3，5-trimethylbenzene （TMB） as pore-expanding agent. ANI was loaded on two carriers， SBA-15 and L-SBA-15， to construct a drug delivery system based on SBA-15 mesoporous silica. The structure of carrier before and after drug loading was analyzed by SEM， TEM， FTIR， XRD and N₂ adsorption-desorption test. It is found that the pore sizes of SBA-15 and L-SBA-15 are 5.04 and 11.92 nm， and the drug loadings are 25.49% and 15.72%， respectively. Compare to the drug dissolution behavior in pH=1.2 and 6.8 dissolution media， it shows that both carriers can significantly improve the dissolution of ANI compared with ANI bulk drug， and the dissolution rate of ANI on L-SBA-15 carrier is slightly faster than that on SBA-15 carrier. This is related to the fact that ANI is highly dispersed in mesoporous materials and is physically adsorbed in mesoporous channels in an amorphous amorphous state， and larger mesopores are more conducive to the diffusion and dissolution of drugs. This study provides some certain experimental basis for improving the dissolution of insoluble drugs in order to increase the bioavailability of such drugs.

Synthesis， Crystal Structure and Magnetic of Di-Nuclear V^IV Complex

JIN Yuxi, YU Haili, WANG Yuqing, XIE Longchen, TIAN Hongrui, CHEN Baokuan

2025, 54(6): 1021-1026. doi:10.16553/j.cnki.issn1000-985x.2025.0015

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A reduced di-nuclear V^IV complex with the chemical formula ［V^IV₂O₃（L）（Me-Im）₄］（1） was synthesized under solvothermal conditions， employing vanadium pentoxide （V₂O₅） as vanadium source， pyrazole-3，5-dicarboxylic acid （H₂L） and N-methylimidazole （Me-Im） as ligands. Complex 1 was fully characterized by single-crystal X-ray diffraction， powder X-ray diffraction， Fourier transform infrared spectroscopy， thermogravimetric analysis and X-ray photoelectron spectroscopy. The single-crystal X-ray diffraction results indicate that complex 1 crystallizes in the monoclinic system， with the space group P2₁/c. The structure contains two crystallographically independent V^IV ions， which are connected by the completely deprotonated pyrazole-3，5-dicarboxylic acid （L^2–） as a bridging ligand. Additionally， four Me-Im act as capping ligands， coordinating with these two V^IV ions， collectively constructing the zero-dimensional di-nuclear V^IV structure of complex 1. Furthermore， the magnetic properties of complex 1 were investigated due to the presence of single electrons in the V^IV d-orbital， and the results reveal the presence of ferromagnetic interactions in the compound.

Preparation of CuO/BiVO₄ Photocatalyst and Catalytic Reduction of U(Ⅵ) in Solution

LIU Chen, LI Xiaoyan

2025, 54(6): 1027-1033. doi:10.16553/j.cnki.issn1000-985x.2025.0004

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The CuO/BiVO₄ heterojunction catalyst responsive to visible light was prepared using the impregnation method. This catalyst was applied to the photocatalytic reduction process for the removal of U（Ⅵ） from aqueous solutions， and a systematic investigation was conducted to examine the influence of various reaction conditions on its photocatalytic performance. The synthesized samples were characterized by X-ray photoelectron spectroscopy （XPS）， X-ray diffraction （XRD）， and scanning electron microscope （SEM）. Using U（Ⅵ） solution as the reactant， the influence of solution pH and sample dosage on the photocatalytic reduction activity of the prepared samples were investigated in this paper. The results show that under the conditions of a solution pH value of 5.5 and a photocatalyst dosage of 0.8 g/L， CuO/BiVO₄ photocatalyst demonstrates a high catalytic reduction efficiency for the removal of U（Ⅵ） from solution， with the removal rate reaching up to 94% after 120 min. This study aims to explore the synthesis of novel heterojunction catalyst materials to address the issue of low photocatalytic efficiency in single-phase photocatalytic materials， thereby providing new insights and directions for research on the photocatalytic removal of U（Ⅵ） from solutions.

Controlling Hydrogen Evolution Reaction of Janus MoSSe by Defect and Strain Engineering

LIU Jingsong, SHEN Lu, REN Longjun, HUANG Xizhong

2025, 54(6): 1034-1041. doi:10.16553/j.cnki.issn1000-985x.2025.0020

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Janus transition metal dichalcogenides （TMDs） exhibit exceptional electronic， optical， and catalytic properties due to their unique asymmetric structure， showing broad application prospects in fields such as nanocatalysis and thermoelectrics. This study employs first-principles calculations to systematically investigate the stability and hydrogen evolution reaction （HER） performance of monolayer Janus MoSSe with typical vacancy defects. The results demonstrate that the Gibbs free energy of monolayer Janus MoSSe during the HER process is significantly reduced to approximately 0.5 eV， markedly lower than that of pristine MoSSe and conventional MoS₂ monolayers. Further research reveals that the introduction of external strain can effectively modulate the HER performance of defective Janus MoSSe. The performance enhancement is primarily attributed to the adaptive release of concentrated strain by dangling bonds in the defect regions， resulting in a notable tunable mode. This study elucidates the underlying mechanism of strain engineering in improving the HER performance of MoSSe， providing a theoretical foundation for the optimized design of efficient HER catalysts based on defective Janus TMDs.

Highly Efficient and Reproducible Sonochemical Synthesis of SbI₃ and Its Films

LI Qingwen, ZHONG Min

2025, 54(6): 1042-1049. doi:10.16553/j.cnki.issn1000-985x.2025.0003

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Two-dimensional （2D） metal halides have attracted increasing research attention in recent years. Antimony triiodide （SbI₃） is used in radiation detectors and optoelectronic devices due to its optical anisotropy， high refractive index， and second harmonic generation. However， the high price of SbI₃ limits its large-scale application. In this paper， SbI₃ was synthesized by the sonochemical method using antimony powder and iodine powder as raw materials for the first time. The effects of ultrasound time， solvent， Sb content， and antimony-iodine ratio were studied and finally SbI₃ crystals and films were prepared successfully from the synthesized powder. The results show that the SbI₃ powder with pure phase is obtained using methanol as the solvent， with a Sb to I₂ molar ratio of 2∶3.6 （a 20% molar excess of iodine） and the ultrasonic time of 100 min. A highly oriented SbI₃ crystal along the （006） plane is obtained by the sublimation method at 220 ℃ for 3 h. When preparing SbI₃ film by vapor transport deposition method， the deposition distance has a great influence on the morphology of the film. Increasing the deposition distance improves the density of the film， but the crystallization degree of the film decreases due to the decrease in temperature. Therefore， it is necessary to choose an appropriate deposition distance. Here， a dense and uniform SbI₃ film can be obtained at a deposition distance of 17.5 cm. The method of sonochemical synthesis of SbI₃ is simple， efficient， low cost， reproducible， and can be extended to the synthesis of other metal iodides such as AgI， CuI， BiI₃， Cs₃Bi₂I₉ and so on.

First-Principle Study on the Gas Sensing Properties of C₂H₆ and C₆H₆ with Pt Modified AlN Monolayer

MO Qiuyan, WU Jiayin, JING Tao

2025, 54(6): 1050-1060. doi:10.16553/j.cnki.issn1000-985x.2024.0314

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This paper systematically studied the adsorption characteristics of C₂H₆and C₆H₆on aluminum nitride （AlN） and Pt modified AlN monolayers using first-principles calculations. The research results indicate that， for C₂H₆， intrinsic AlN monolayer exhibits lower adsorption energy and charge transfer amount， resulting in poor sensitivity of AlN monolayer to C₂H₆. Further research has shown that even after Pt modification， the adsorption performance of AlN monolayers for C₂H₆ has not significantly improved. Therefore， AlN is not suitable as a gas sensing material for detecting C₂H₆. In contrast， the adsorption energy of C₆H₆on Pt modified AlN monolayer is -0.564 eV， indicating that Pt modification enhances the adsorption capacity of AlN monolayers for C₆H₆. In addition， due to changes in bandgap and work function， Pt modified AlN monolayers exhibit higher sensitivity to C₆H₆. More importantly， the moderate adsorption energy and short recovery time at room temperature （3.45×10^-4 s） indicate that Pt modified AlN monolayers have high sensitivity and good repeatability in detecting C₆H₆ molecules. The research results provide a microscopic explanation for the adsorption behavior of C₂H₆ and C₆H₆ on Pt modified AlN monolayers， promoting the further application of AlN based materials in the field of gas sensing.

Preparation and Electrical Properties of Co Doped Na_0.5Bi_4.5Ti₄O₁₅ Bismuth-Layered Lead-Free Piezoelectric Ceramics

ZHANG Feiyang, YAN Feng, LOU Yue, LI Bojiang, LI Jie

2025, 54(6): 1061-1067. doi:10.16553/j.cnki.issn1000-985x.2024.0258

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High Curie temperature bismuth-layered lead-free piezoelectric ceramics based on Na_0.5Bi_4.5Ti_4-_x Co _x O₁₅ （x=0， 0.025， 0.050， 0.075） were prepared by conventional solid state reaction method. The crystal structure， fracture morphology， oxygen vacancy status， as well as the dielectric， piezoelectric and ferroelectric properties of the samples were characterized by XRD， SEM， EDS， XPS and related electrical parameter testing systems. The influence of different doping contents of Co on the ceramic properties was investigated. The results show that when the doping content of Co is 0.050， the sample exhibits a single and uniform phase composition， with a lamellar structure and high densification. The piezoelectric constant is 34.7 pC/N. The dielectric loss is only 0.30% and the Curie temperature is 672 ℃. The high temperature resistivity at 500 ℃ is 1.62×10⁷ Ω·cm. Meanwhile， the sample demonstrates excellent temperature stability， suggesting that the doped Na_0.5Bi_4.5Ti_3.95Co_0.05O₁₅ ceramic has potential market applications value in high-temperature and high- frequency fields.

Lithium Storage Properties of Nanosized Hollow Cubic ZnMn₂O₄/rGO Composite Materials

ZHANG Lin, CAI Qianghao, DAI Hanwen, WANG Yanming, WANG Fei

2025, 54(6): 1068-1077. doi:10.16553/j.cnki.issn1000-985x.2025.0025

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ZnMn₂O₄ is a potential anode material for lithium-ion batteries with high specific capacity， but its high-rate performance and cycle life need to be improved. In this paper， ZnMn₂O₄ hollow cubes with an edge length of about 200 nm were prepared by a facile microemulsion method at room temperature followed by an annealing process. The cubes consist of interconnected nanoparticles with sizes of 30~50 nm. In order to improve the conductivity of the material， ZnMn₂O₄/rGO composite was prepared by mixing ZnMn₂O₄ with graphene oxide （GO） followed by a heat treatment. The phase composition， microstructure， lithium storage properties and mechanism of the composite were systematically investigated. As an anode material for lithium-ion batteries， ZnMn₂O₄/rGO delivers discharge capacities of 1 193 and 620 mAh·g^-1 at current densities of 0.1 and 4 A·g^-1， respectively. A discharge capacity of 806 mAh·g^-1 can be achieved after 700 cycles at 1 A·g^-1. The outstanding rate performance and cycle stability can be attributed to the synergistic effect of ZnMn₂O₄ and reduced graphene oxide （rGO）. The smaller secondary cube/primary nanoparticle sizes enable the short Li⁺ diffusion distance. The hollow structure provides space for volume expansion of the material during lithiation， so that the cube can maintain its structural integrity. The rGO not only constructs a 3D electron transport network of the material to accelerate the electron transport speed， but also buffers the volume change during lithium insertion/extraction to maintain the structure stability of the material. This study provides a feasible strategy for the preparation of high-performance metal oxide anode materials.

Preparation and Performance Study of Liquid Protective Film

LI Yan, HAN Sun, XU Cheng

2025, 54(6): 1078-1088. doi:10.16553/j.cnki.issn1000-985x.2024.0290

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In order to optimize the protective performance and extend the service life of optical films， this paper innovatively uses liquid protective films to protect optical films. Pure substance protective films， mixed liquid protective films and colloidal protective films were prepared. Transmittance， laser damage threshold （LIDT） and self-healing properties of three types of liquid protective films were studied. The results show that the colloidal protective films have the best performance among the three liquid protective films. The transmittance of SiO₂ colloid reaches 91.8% and LIDT reached 34.2 J/cm². Based on the fluidity of liquids， all three types of liquid protective films have certain self-healing properties， which can repeatedly resist high-energy laser irradiation. Under the laser irradiation， the damage area of SiO₂ colloidal protective film is small and the self-healing time is shortest. After laser damage threshold testing， it is found that the optical film assembled with liquid protective film has better protective effect.

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