Inorganic Chemistry Frontiers
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2019
·Vol. 6
·期 11
·3133-3139
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IF 5.934
Ya-Ping Gong,Chun-Li Hu,Yun-Xiang Ma,Jiang-Gao Mao,Fang Kong
Two new halogenated selenites, namely, Pb2Cd(SeO3)2X2 (X = Cl and Br), were synthesized via mild hydrothermal reactions. The isomorphic compounds crystallized in a noncentrosymmetric (NCS) and chiral space group. Their three-dimensional (3D) structures were formed by alternating undulated [Pb2(SeO3)X]∞+ cationic layers and flattened [Cd(SeO3)X]∞− anionic layers. Thermal analyses revealed that the compounds can remain stable up to 500 °C. The SHG efficiencies of Pb2Cd(SeO3)2X2 (X = Cl and Br) are much higher than those of commercial KDP (KH2PO4), and they are phase-matchable. UV-vis-NIR diffuse reflectance spectra revealed that the two compounds exhibited wide optical band gaps. The laser damage thresholds of Pb2Cd(SeO3)2X2 (X = Cl and Br) were measured to be about 38.5 and 35.7 times higher than that of AGS (AgGaS2). Their calculated birefringences were large enough to accomplish phase matching in SHG progression. The SHG density analyses disclosed that the lone pair electrons of the SeO3 and PbOnXm units made major contributions to their nonlinear efficiencies.
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Functional Materials Letters
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2024
·
IF 1.2
Zhuqing Sun,Yongxia Li,Haowen Bai,Shenghang Jin,Haibo Zhang,Guanying Cao
All inorganic lead halide cesium perovskite quantum dots (QDs) have attracted much attention due to their excellent luminescence properties, but further development is restricted by their stability and the existence of toxic element lead. In this paper, F/Mn-doped CsPb ( Br / Cl ) 3 QDs glass was prepared by melt quenching and heat treatment, with reduced Pb content effectively. The result shows that the spectrum of the QD glass is adjustable between 450 nm and 515.4 nm by changing the feeding ratio of Mn-Pb ion and heat treatment temperature. Moreover, the indraught of Mn 2 + effectively improves the PLQY of CsPb ( Br / Cl ) 3 QDs glass and serves as a red-emitting. The prepared composites not only maintain good fluorescence characteristics, but also greatly improve the stability of QDs. And successfully coupled with blue LED chips to synthesize WLED, Under 20 mA current, the color coordinate is (0.3446, 0.3389).
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ACS Omega
·
2025
·
IF 4.3
SongYuChen Ma,Tao Liu,DeQi Wang,YinHui Li,WenJing Shi,FengSheng Li,Jie Liu
To address the quality issues arising from the uncontrollable morphological grain size in the preparation of CL-20/HMX cocrystals, a novel method for producing high-quality cocrystals with well-defined morphological grain sizes has been developed. The cocrystallization process was conducted using the solvent/nonsolvent method, wherein the mixing efficiency and solution supersaturation were precisely controlled through systematic optimization of key parameters, including solvent composition, solvent/nonsolvent ratio, reaction temperature, and stirring rate. Through systematic optimization of experimental parameters, three distinct rhombohedral CL-20/HMX cocrystal samples with uniform particle size distributions and well-defined morphologies were successfully prepared, exhibiting characteristic D50 values of 20, 63, and 130 μm. Comprehensive characterization revealed that SEM analysis demonstrated the cocrystals possess smooth surfaces and regular geometric shapes. Combined XRD and micro-CT analyses confirmed the high crystallinity of the cocrystals, particularly noting the reduced internal defects and superior crystal perfection in larger-grained samples. DSC measurements indicated enhanced thermal stability in cocrystals with larger particle sizes. Furthermore, sensitivity testing showed larger-grained cocrystals are less sensitive than smaller-grained ones, which can be attributed to the more compact internal structure of the crystals.
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ACS Applied Nano Materials
·
2025
·
IF 5.5
Zhifan Wang,Mengmeng Dai,Gang Yang,Xiao Zhang,Pengchao Shen,Chunxiang Zhao,Yongsheng Zhu
Perovskite nanocrystals have gained considerable attention owing to their outstanding photoluminescence and photodetection performance in various applications. However, the rigorous preparation conditions and lead toxicity of most lead halide perovskite nanocrystals still hamper practical application, which achieves efficient deep-red and near-infrared (NIR) emission also meeting the challenge. Herein, sub-25 nm Cl–-doped lead-free CsMnBr3 nanocrystals (NCs) were prepared via a moderate hot-injection method at room temperature and the resulting NCs showcased excellent photoluminescence property with reduced impurities. Furthermore, a substantial enhancement in photoluminescence quantum yield (PLQY) from 54.20% to 78.05% was achieved by manipulating the Cl– doping concentration, which is attributed to the weakened nonradiative recombination pathways induced by Cl–-mediated defect passivation. Consequently, we fabricated photoluminescent light-emitting diodes (LEDs) based on Cl–-doped CsMnBr3 nanocrystals and achieved NIR emissions of Nd3+, Yb3+, and Er3+ ions. These results reveal that Cl–-doped CsMnBr3 perovskites NCs can not only be facilely prepared via a simple room-temperature synthesis, but also demonstrate promising potential in various areas such as photoluminescent LEDs and near-infrared optoelectronic devices.
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JOURNAL OF PHYSICAL CHEMISTRY A
·
2018
·
IF 2.836
Shuyan Wang,Lin Du,Jianqiang Zhu,Narcisse T. Tsona,Shijie Liu,Yifeng Wang,Maofa Ge,Wenxing Wang
Allyl acetate (AA) is widely used as monomer and intermediate in industrial chemicals synthesis. To evaluate the atmospheric outcome of AA, kinetics and mechanism of its gas-phase reaction with main atmospheric oxidants (O3, OH, Cl, and NO3) have been investigated in a Teflon reactor at 298 ± 3 K. Both absolute and relative rate methods were used to determine the rate constants for AA reactions with the four atmospheric oxidants. The obtained rate constants (in units of cm3 molecule–1 s–1) are (1.8 ± 0.3) × 10–18, (3.1 ± 0.7) × 10–11, (2.5 ± 0.5) × 10–10, and (1.1 ± 0.4) × 10–14, for reactions with O3, OH, Cl, and NO3, respectively. While results for reactions with O3, OH and Cl are in good agreement with previous studies, the kinetics for the reaction with NO3 is reported for the first time in this study. On the basis of determined rate constants, the tropospheric lifetimes of AA are τO3 = 9 days, τOH = 5 h, τCl = 5 days, τNO3 = 2 days. On the basis of the products study, reaction mechanisms for these oxidations have been proposed and the reaction products were detected using thermal desorption–gas chromatography–mass spectrometry (TD–GC–MS) and Fourier transform infrared spectroscopy (FTIR). Results show that the main products formed in these reactions are carbonyl compounds. In particular, 2-oxoethyl acetate was detected in all four AA oxidation reactions. Compared to previous studies, several new products were determined for reactions with OH and Cl. These results form a set of comprehensive kinetic data for AA reactions with main atmospheric oxidants and provide a better understanding of the degradation and atmospheric outcome of unsaturated acetate esters in the troposphere, during both daytime and nighttime.
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JOURNAL OF PHYSICAL CHEMISTRY A
·
2017
·
IF 2.847
Jianqiang Zhu,Shuyan Wang,Narcisse T. Tsona,Xiaotong Jiang,Yifeng Wang,Maofa Ge,Lin Du
Rate constants at room temperature (293 ± 2 K) and atmospheric pressure for the reaction of methyl n-propyl ether (MnPE), CH3OCH2CH2CH3, with OH and NO3 radicals and the Cl atom have been determined in a 100 L FEP-Teflon reaction chamber in conjunction with gas chromatography-flame ionization detector (GC-FID) as the detection technique. The obtained rate constants k (in units of cm3 molecule–1 s–1) are (9.91 ± 2.30) × 10–12, (1.67 ± 0.32) × 10–15, and (2.52 ± 0.14) × 10–10 for reactions with OH, NO3, and Cl, respectively. The products of these reactions were investigated by gas chromatography-mass spectrometry (GC-MS), and formation mechanisms are proposed for the observed reaction products. Atmospheric lifetimes of the studied ether, calculated from rate constants of the different reactions, reveal that the dominant loss process for MnPE is its reaction with OH, while in coastal areas and in the marine boundary layer, MnPE loss by Cl reaction is also important.
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CRYSTAL GROWTH & DESIGN
·
2026
·
IF 3.6
Ying Long,Xuehua Dong,Lin Qi,Lindong Luan,Zichen Ren,Zhien Lin,Guohong Zou
Balancing large birefringence with ultraviolet (UV) transparency remains a central challenge in the development of birefringent crystals. Herein, we report two Sb(III)-based hypophosphites, Sb(H2PO2)2Cl and Sb(H2PO2)2F, and comparatively investigate their crystal structures and optical properties. Single-crystal X-ray diffraction analysis shows that Sb(H2PO2)2Cl crystallizes in a wave-like two-dimensional (2D) layered structure, whereas Sb(H2PO2)2F adopts a 1D chain structure. Optical measurements reveal that Sb(H2PO2)2F exhibits a markedly enhanced birefringence of 0.205 at 546 nm, compared with 0.055 for Sb(H2PO2)2Cl, in good agreement with DFT-calculated values of 0.211 and 0.041, respectively. Meanwhile, Sb(H2PO2)2F retains a wide band gap of 4.81 eV and a short UV cutoff edge of 258 nm, indicating a favorable balance between optical anisotropy and UV transparency. Further structure–property analysis suggests that the enhanced birefringence of the fluoride is closely associated with the more favorable orientational efficiency of the stereochemically active lone pair on Sb3+. These results demonstrate that halogen substitution is an effective approach for tuning optical anisotropy in UV-transparent Sb(III)-based hypophosphites.
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Surfaces and Interfaces
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2026
·
IF 6
Keer Tan,Jinping Zhao,Linfa Bao,Linjun Shao,Hanyun Liu,Yishuo Dong,Peng Yang
Catalytic combustion is a widely used technology for volatile organic compounds (VOCs) abatement, in which highly active catalysts play a key role. However, catalyst is prone to poisoning during the degradation of VOCs. In order to study anti-poisoning performance, the Cl, S and P heteroatoms were artificially introduced, and the corresponding doped CuO-ZrO 2 catalysts were prepared via a salicylic acid-assisted sol-gel method. The effects of heteroatom doping on the structure, acidity, redox properties and catalytic performance were systematically studied. The results showed that Cl, S and P doping effectively tuned the catalyst structure, active species dispersion and surface Lewis/Brønsted acid sites, which exerted a meaningful influence on catalytic performance of catalysts in the degradation of VOCs pollutants. In addition, compared with the undoped CuZrO, Cl-CuZrO exhibited the highest catalytic performance for degradation of toluene, chlorobenzene and p-chlorotoluene, indicating that the CuO-ZrO 2 catalyst system possessed excellent chlorine resistance. Meanwhile, S-CuZrO showed comparable performance to CuZrO, which demonstrated that the CuO-ZrO 2 catalysts had a certain degree of sulfur resistance. Through the design and optimization of heteroatom doping, this work provided valuable insights for enhancing the catalytic efficiency and structure stability of CuO-ZrO 2 based catalysts.
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INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2025
·
IF 3.9
Wenbin Tang,Jin Shen,Zhongjie Shen,Jiawei Wang,Haifeng Liu
The four-step Cu–Cl thermochemical hydrogen production cycle can effectively convert heat energy into hydrogen energy, and the thermolysis reaction is the key stage for connecting the upstream and downstream reactions. This study focused on the influence of different upstream hydrolysates (Cu2OCl2 or CuO) on thermolysis and the different reaction mechanisms. The micromorphological changes during the reaction process, the specific information on the precipitated gases, and the effect of temperature and reaction time on the main and byproducts were analyzed. The results showed that the maximum CuCl yields of 84.58 and 82.26% were obtained from the thermolysis of Cu2OCl2 and CuCl2–CuO equimolar mixtures. During the reaction, both reaction feedstocks shrink and then melt and start to precipitate O2 at 430 and 415 °C, respectively. For the thermolysis of CuCl2–CuO mixtures, an excess of CuCl2 contributes to the main reaction. Finally, the complex reaction mechanism of thermolysis and product regulation was revealed.
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INORGANIC CHEMISTRY COMMUNICATIONS
·
2026
·
IF 5.9
Shuyan Qi,Yang Wang,Ling Guan,Xu Hu,Haiyang Li
This study addresses antibiotic water pollution by synthesizing Zr-doped Bi₂₄O₃₁Cl₁₀ (Bi₂₄(₁₋ₓ)Zr₁₈ₓO₃₁Cl₁₀) photocatalysts via hydrothermal method for tetracycline hydrochloride (TC-HCl) removal. Zr doping ratios (6–14%) were systematically investigated, with the optimal BZOC4 (12% Zr) degrading 91.24% of 20 mg/L TC-HCl within 120 min under 500 W xenon lamp irradiation (pH = 9). Its reaction rate constant (0.0239 min −1 ) is triple that of pristine Bi₂₄O₃₁Cl₁₀. Zr doping reduces the band gap from 3.12 eV to 2.8 eV, improves visible light utilization (absorption edge red-shifted to 525 nm), accelerates electron transfer, and reduces e − /h + recombination—supported by UV –Vis DRS, PL, and electrochemical tests. Superoxide radicals (O₂ − ·) and holes (h + ) are primary active species, confirmed by radical trapping and ESR. TOC analysis confirms 32.4% mineralization of TC-HCl to CO₂ and H₂O.This work offers new design strategies for bismuth halide-based photocatalysts in antibiotic remediation by integrating structural regulation and electronic modulation via Zr doping.
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ACS Omega
·
2022
·
IF 4.132
Bin Yuan,Yu Zhang,Ke-xin Wang,Tian-ping Wang,Yan Li,Shun-guan Zhu,Lin Zhang,Zhen-xin Yi,Hua Guan,Chen-guang Zhu
The energetic performance of hexanitrohexaazaisowurtzitane (CL-20) was modulated with two energetic coordination polymers (ECPs), [Cu(ANQ)2(NO3)2] and [Ni(CHZ)3](ClO4)2, in this study by a two-step method. First, tannic acid polymerized in situ on the surface of CL-20 crystals. Then, [Cu(ANQ)2(NO3)2] and [Ni(CHZ)3](ClO4)2 were hydrothermally formed on the surface of CL-20/TA, respectively. Explosion performance tests show that the impact sensitivity of the coated structure CL-20/TA/[Cu(ANQ)2(NO3)2] is 58% less than that of CL-20 with no energy decrease. On the other hand, CL-20/TA/[Ni(CHZ)3](ClO4)2 can be initiated by a low laser energy of 107.3 mJ (Nd:YAG, 1064 nm, 6.5 ns pulse width), whereas CL-20 cannot be initiated by even 4000 mJ laser energy. This study shows that it is feasible to modify the performance of CL-20 by introducing energetic CPs with certain properties, like high energy insensitive, laser-sensitive, etc., which could be a prospective method for designing high energy insensitive energetic materials in the future.
研究领域:
含能材料
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材料化学
·
火炸药工程
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ACS Applied Materials & Interfaces
·
2022
·
IF 10.383
Wenwen Liu,Teng Zhang,Baohua Zhao,Chengben Liu,Youru Bai,Zhi Li,Shihui Zhu,Tailin Wang,Xinyu Sun,Heyuan Liu,Zhaobin Liu,Yanli Chen,Xiyou Li
The nonradiative carrier recombination at the perovskite/carrier selective layer (CSL) interface was accounted for the inferior power conversion efficiency (PCE) of perovskite solar cells (PSCs), especially rigid all-inorganic perovskite (CsPbI3 and CsPbBr3). In this study, targeting the poor interface, we introduce SbX3 (X = Cl, Br, I) surface passivation at the CsPbBr3/carbon interface. Smoothed compressive strain, reduced defect density, and enhanced energy-level alignment were achieved simultaneously, facilitating carrier extraction at the selective interface. With the simple aqueous solution-based two-step process, the PCE of our SbI3 passivated carbon-based CsPbBr3 PSCs has increased from 7.81% (without passivation) to 9.69%, a ∼25% enhancement. Specifically, Voc (1.657 V) of the SbI3-passivated cells was much higher than that of the control ones (1.488 V), confirming the ameliorated interface. Finally, our unencapsulated SbI3 passivated devices maintain 90% of their initial PCEs while left in the air for 30 days with a relative humidity of 60%. To conclude, we present an interfacial carrier extraction-enhanced strategy for preparing high-performance and stable CsPbBr3-based PSCs.
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