ACS Applied Nano Materials
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2025
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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.
研究领域:
材料科学
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纳米技术
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光电子学
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光子学
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半导体物理
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2025
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IF 2.1
Honglin Xu,Ruilin Wang,Yongsheng Deng,Guofeng Dou,Xinyu Wang
The stable phase equilibrium of the reciprocal quaternary system of Na+, K+//VO3–, Cl––H2O at 298.15 K was investigated by an isothermal solution equilibrium method. The equilibrium liquid phase solubility data and physical property data [density (ρ), refractive index (nD), and pH] were determined, and the composition of the equilibrium solid phase was verified by X-ray diffraction. The phase diagram and physical property–composition diagrams were constructed based on the equilibrium solubility data and physical property data. The phase diagram contains three invariant points, seven isothermal univariant curves, and five crystalline phase regions. The study found that this quaternary system belongs to a complex system with the presence of the double salts. By comparing the experimental results with literature data, it was confirmed that at 298.15 K, the chemical formulas of the complex salt which formed by the quaternary system Na+, K+//VO3–, Cl––H2O were consistent with the complex salt chemical formula (Na2mKn(VO3)2m+n) proposed by the Druzynski group, thus verifying the reliability of this experiment. The results of this study will provide new experimental data for the thermodynamics of vanadium–water systems.
研究领域:
物理化学
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无机化学
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ChemistrySelect
·
2026
·Vol. 11
·期 28
·e73876
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IF 2.3
Tao Liu,Huichao Zhang,Bo Huang,Shitong Li,Bin Liu
Mn 2+ -doped perovskite nanocrystals (NCs) have attracted extensive research interest and have been synthesized with sizes in the strong confinement regime. Nevertheless, the size of the doped NCs is still not as small as that of undoped perovskite NCs. To address this, we develop a ligand-assisted reprecipitation method incorporating ultrasonication to synthesize Mn 2+ -doped CsPb(Cl/Br) 3 NCs. The obtained spherical NCs have an average size of 3.1 nm and exhibit orange photoluminescence originating from the 4 T 1 to 6 A 1 transition of Mn 2+ . The luminescent properties correlate with the volume ratio of MnCl 2 to PbBr 2 precursors. Increasing the ratio enhances the Mn 2+ -related emission, while excessive doping leads to photoluminescence quenching. When the precursor ratio is reduced to 1:1, the NCs exhibit both intrinsic exciton and Mn 2+ -related emission, with some particles adopting cubic or rod-like morphologies. Prolonged ultrasonic treatment does not significantly shift the emission peak of the NCs, but promotes superlattice assembly in small-sized NCs, showing a center-to-center separation of 4.2 nm. Subsequently, altering the precursor addition sequence to introduce MnCl 2 last during ultrasonic preparation yields simultaneous formation of spherical and cubic NCs. Finally, post-synthesis doping of Mn 2+ is achieved. Formation of small spherical NCs confirms hypothesis that MnCl 2 induces morphological transformation of NCs. Graphical Ultrasonication-assisted ligand-assisted reprecipitation delivers 3.1 nm Mn 2+ -doped CsPb(Cl/Br) 3 nanocrystals with orange emission from the Mn 2+ 4 T 1 → 6 A 1 transition.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2026
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IF 2.4
Jia Xu,Xun Wang,Jiazheng Qin,Ziwei Hu,Ruyi Lin,Yong Ma,Dan Li,Lingzong Meng
The solid–liquid phase equilibria of the quaternary system Na+, Cs+//Cl–, CO32––H2O and its subsystem Na2CO3–Cs2CO3–H2O at 308.15 K were studied by the isothermal dissolution method. The phase diagram of the system Na2CO3–Cs2CO3–H2O is composed of two single-salt crystallization fields of Na2CO3·H2O and Cs2CO3·H2O, two solubility univariant curves, and one invariant point. The dry-salt phase diagram of the quaternary system consists of three invariant points, seven univariant curves, and five crystallization regions corresponding to Na2CO3·H2O, NaCl, solid solution [Cs1–x(Na·H2O)x]Cl, Cs2CO3·H2O, and double salt CsCl·2NaCl·2H2O. The areas of crystallization zones decrease according to the above order. The Jan̈ecke index of H2O, pH, and refractive index of the liquid phase in the quaternary system change regularly with the Jan̈ecke index of Cs+. These results on the phase diagram of the quaternary system can supply theoretical references for cesium salt separation from carbonate-type brine.
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TOXICOLOGY
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2026
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IF 5.2
Mengying Teng,Jianhui Zhuang,Lili Yang,Yu Chen,Melvin E. Andersen,Qiang Zhang,Weidong Qu
Chlorinated polyfluoroalkyl ether sulfonic acids (Cl-PFESAs, F-53B) are widespread environmental pollutants that have been introduced as emerging alternatives to perfluorooctane sulfonate. They are suspected to have thyroid-disrupting effects, however, their impact on human thyroid hormone (TH) synthesis and the underlying mechanisms remain poorly understood. Using Cl-PFESAs at concentrations relevant to children’s serum levels, in the present study we found that Cl-PFESA mixture significantly elevated thyroxine (T4) and triiodothyronine (T3) synthesis in human thyroid follicular epithelial cells (Nthy-ori 3–1)—contrasting with the hypothyroid effect reported in animal studies. We further demonstrated that mechanistically Cl-PFESAs activated transcription factor paired box gene 8 (PAX8) at environmentally relevant concentrations, upregulating thyroglobulin, thyroid peroxidase, and catalase while downregulating sodium iodide symporter. PAX8 knockdown completely abolished Cl-PFESA-induced upregulation of thyroid-specific transcription factors and TH hypersecretion, confirming that PAX8 plays a central role in mediating the TH-stimulating effect of Cl-PFESA. Furthermore, co-exposure with iodide exhibited a nonmonotonic effect: low-to-medium iodide levels (100–300 μ g/L) enhanced Cl-PFESA-stimulated TH secretion, whereas high levels (≥600 μ g/L) suppressed it. Taken together, this study revealed a novel, human thyrocyte-specific hyperthyroid effect of Cl-PFESA at children serum relevant concentrations and a PAX8-mediated molecular mechanism. Our findings provide crucial toxicological evidence for the human health risk that this class of emerging PFAS alternatives may pose and its potential complications by iodine intake status.
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MICROCHIMICA ACTA
·
2026
·Vol. 193
·期 5
·306
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IF 5.4
Zhu Yuchuan,Li Junhong,Yang Ruoxi,Bao Mingqiu,Hao Yakai,Chen Huijin,Yue Ruirui,Shu Jinbing,Duan Xuemin
A ternary nanocomposite, PEDOT:PSS/UiO-66-Cl@Ru, was successfully synthesized via a one-pot hydrothermal strategy for the ultrasensitive electrochemical detection of amaranth (AM) and Allura Red (AR). The conceptual advance of this work lies in the synergistic integration of halogen-induced intrinsic electroactivity, maximal atomic utilization of single-atom Ru, and the conductive bridging effect of PEDOT:PSS. This ternary design effectively overcomes the conductivity bottleneck of MOFs while delivering exceptional catalytic site density and enhanced interfacial stability. The resulting PEDOT:PSS/UiO-66-Cl@Ru platform delivered remarkable analytical performance, featuring wide linear ranges of 0.05–140 µM for AM and 0.07–50 µM for AR. The low limits of detection were 16.6 nM and 23.3 nM, with high sensitivities of 0.179 µA µM⁻¹ cm⁻² and 0.247 µA µM⁻¹ cm⁻² for AM and AR, respectively. Furthermore, the proposed sensor demonstrated excellent selectivity, reproducibility, and stability. Finally, the successful application of PEDOT:PSS/UiO-66-Cl@Ru in detecting AM and AR within beverage samples validates its practical utility for on-site food safety screening.
Section
Graphical abstract
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MARINE POLLUTION BULLETIN
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2026
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IF 4.9
Diyi Liu,Lu Liu,Ping Yin,Yan Tian,Jing Zhang
17β-Estradiol (E2), a typical endocrine-disrupting chemical, is widely detected in various aquatic environments, including rivers, lakes, groundwater, estuaries, and coastal waters, posing significant ecological and health risks. Photodegradation is a key pathway for the transformation and removal of E2 from aquatic systems. This study investigated the effects of dissolved organic matter (DOM) from different sources and common inorganic anions (Cl − and NO 3 − ) on E2 photodegradation under simulated solar irradiation. The results indicated that the excited triplet state of DOM ( 3 DOM*), generated upon light absorption, was the key reactive species driving E2 photodegradation. Among the DOM sources examined, humic acid exhibited the strongest promotive effect on E2 photodegradation. Correlation analysis confirmed that terrestrial humic-like components within seawater DOM were the primary contributors to 3 DOM* formation. Seawater DOM from nearshore areas exhibited higher steady-state concentrations of 3 DOM* owing to greater terrestrial input. Both Cl − and NO 3 − effectively accelerated E2 photodegradation, and the E2 degradation rate increased with their concentrations. In contrast, the coexistence of Cl − , NO 3 − , and DOM inhibited E2 photodegradation. In DOM-dominated systems, the main transformation pathways of E2 involved oxidation and hydrolysis reactions on the phenolic ring. This study elucidates the effects of DOM source and water chemical composition on E2 photodegradation, which is crucial for accurately predicting its environmental fate and ecological risks. Moreover, the findings provide valuable insights into the photochemical transformation of other emerging organic contaminants.
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APPLIED SURFACE SCIENCE
·
2026
·
IF 6.6
Thanh Hai Pham,Do Ngoc Son,Viorel Chihaia
Inhibition efficiency follows MBTH-6-NH 2 ≪ MBTH < MBTH-6-Cl. • A new approach is proposed to evaluate anodic and cathodic inhibition efficiencies. • Adsorption energy alone cannot explain inhibition performance. • Organic inhibitor layers regulate interfacial reaction kinetics and surface electronic structure. By combining experimental techniques with density functional theory (DFT) calculations, we investigate the interfacial corrosion inhibition behavior of 2-mercaptobenzothiazole (MBTH) and its –NH 2 and –Cl substituted derivatives on Cu surfaces. The inhibition efficiencies follow the order MBTH-6-NH 2 < MBTH < MBTH-6-Cl. At 5 × 10 −4 M, MBTH and MBTH-6-Cl exhibit high efficiencies of 95.5% and 97.8%, respectively, whereas MBTH-6-NH 2 shows a lower efficiency of 76.3%. The formation and characteristics of inhibitor layers on copper are confirmed by SEM, AFM, ATR-FTIR, and contact angle measurements. DFT calculations reveal that the adsorption energies of the inhibitors on Cu (111) at various coverages do not correlate with the experimental efficiencies, indicating that adsorption strength alone cannot account for the inhibition mechanism. Instead, the efficiency trend is governed by the influence of inhibitor layers on interfacial electrochemical reactions. The MBTH-6-NH 2 -covered Cu (111) surface exhibits enhanced oxygen reduction activity due to stronger O 2 and H 2 O adsorption, facilitated by hydrogen bonding with the –NH 2 group. Moreover, the reduced work function and lower Cu escape energy promote interfacial charge transfer and copper dissolution. These results demonstrate that regulation of interfacial reaction kinetics and surface electronic structure by organic inhibitor layers is critical for copper corrosion inhibition. Download: Download high-res image (99KB) Download: Download full-size image
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Nature Communications
·
2026
·
IF 18.1
Yu Yang,Zhou Wei,Yuan Junshu,Zhou Xiaohan,Zhang Xuewei,Li Xuhan,Xia Xiao,Zhang Liqiang,Chen Yingjian,Meng Xiaoxiao,Wang Xingxing,Sun Fei,Gao Jihui,Zhao Guangbo
From the perspective of sustainable energy and green hydrogen, the critical challenge in seawater electrolysis lies in suppressing competitive chloride oxidation and corrosion at the anode. Despite the proposed protection mechanism based on surface reconstruction-derived anion repellence, a fundamental question of selectivity remains: why does the protective layer exclude Cl - but not the formally equivalent OH - ? We now redefine the connection between reconstruction and interfacial protection in NiFeS anodes to elucidate the origin of underlying selectivity. In-situ Raman, in-situ X-ray absorption spectroscopy, and molecular dynamic calculations further confirm that the reconstructed SO 4 2- establishes an enhanced hydrogen-bond network. This network significantly weakens the hydrogen-bonding strength of Cl - relative to H 2 O, thereby enhancing the discrimination between OH - and Cl - . In practical application, NiFeS demonstrates energy-saving seawater splitting performance (261.8 mV @ 100 mA·cm -2 ), long-term durability (2000 h @ 1.0 A·cm -2 ), and enables stable intermittent electrolysis (1500 start-stop cycles @500 mA·cm -2 ). When integrated into an anion exchange membrane cell, it shows promising electrolysis performance for industrial applications (1.970 V @ 1.0 A·cm -2 ).
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JOURNAL OF PHYSICAL CHEMISTRY B
·
2026
·
IF 3.2
Ya-Li Wang,Rui-Zhi Cui,Hong-Bao Ren,Qiu-Ye Yang,Wu Li
To investigate the formation process of cesium in a system where chlorine and bromine coexist, as well as the laws governing solid–liquid phase equilibrium, this paper conducts a multiscale study of the CsCl–CsBr–H2O ternary system at 298.15 K. First, the formation process of Cs(Cl, Br) solid solutions was investigated through long-term experiments, while molecular dynamics simulations were employed to examine the coordination and migration of ions at different stages of the reaction. Building on this, the isothermal dissolution equilibrium method was used to systematically determine the stable phase equilibrium relationships in this system and to plot a phase diagram; furthermore, various solid-state characterization analyses were performed on the equilibrium solid phase. Finally, utilizing the thermodynamic data obtained from the experiments, the Pitzer model was parametrized to calculate the solubility of this solid solution system, which was then compared with the experimental results. This research provides a theoretical basis for understanding and predicting the precipitation behavior of cesium in systems where chlorine and bromine coexist.
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TALANTA
·
2025
·
IF 6.1
Liwu Gan,Xiaoying Feng,Suxin Zhou,Jinglin Chen,Juan Zheng,Gangfeng Ouyang
Functionalized metal organic framework (MOF) and covalent organic framework (COF) composites (MOF@COFs) with complementary advantages, hierarchical pores, pre-designable and tunable structures, are expected for remarkable adsorption of organic pollutants, yet to be explored. Herein, a kind of MOF@COF composite was synthesized by combining the parent MIL-68(In) and COF–V (10 %-MIL-68@COF–V), characterized with well-retained crystallinity and hierarchical pores. The parent materials and as-prepared MIL-68@COF-Vs were further fabricated as solid phase microextraction (SPME) coatings to study their extraction performance for Cl/Br-substituted organic pollutants. The 10 %-MIL-68@COF–V coated fiber exhibited the most outstanding enrichment performance for Cl/Br-substituted organic pollutants mainly due to the synthetic advantages, which was 1.1–196.5 times superior than that of the commercial PDMS coating. By combining it with gas chromatography-mass spectrometry (GC-MS), an ultrasensitive method was established, exhibiting wide linear ranges (1–5000 ng L −1 ), low LODs (0.17–0.29 ng L −1 ), and good reproducibility. The trace Cl/Br-substituted organic pollutants in marine water samples were successfully detected, verifying the practicability of the developed method in environmental monitoring.
研究领域:
环境科学
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材料科学
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COMBUSTION AND FLAME
·
2025
·
IF 6.2
Shubao Song,Lin Zhang,Meishuai Zou,Jiankun Shao
High-temperature gas-phase interactions between chlorine- and nitrogen-bearing species relevant to ammonium-perchlorate (AP) propellant combustion were elucidated by coupling shock-tube laser-absorption measurements with a detailed kinetic model. Time-resolved HCl concentration profiles were obtained for four argon-diluted surrogates—0.3 % NH 3 /0.3 % CCl 4 , 0.5 % NH 3 /0.3 % CCl 4 , 0.2 % NH 3 /0.2 % CCl 4 /0.2 % CH 4 , and 0.2 % NH 3 /0.2 % CCl 4 /0.2 % H 2 —over 1158–1506 K at near-atmospheric pressure. A kinetic model consisting of 164 species and 1358 reactions, assembled from state-of-the-art CCl 4 , H–Cl–O, NH 3 /C 0 –C 2 , and N–Cl sub-models, reproduced the new HCl data alongside literature ignition-delay and speciation measurements with excellent accuracy. Sensitivity and rate-of-production analyses reveal a temperature-robust control structure in which HCl forms almost entirely through Cl-atom abstraction from NH 3 , with Cl supplied by rapid CCl 4 dissociation; the barrierless Cl + H<=>HCl path dominates in H 2 -containing mixtures, whereas competition from Cl + CH 4 <=>CH 3 + HCl moderates HCl growth and channels carbon–nitrogen flux toward toxic HCN when CH 4 is present. Elevated temperature chiefly amplifies Cl production and suppresses NH 2 recombination, accelerating overall reactivity without altering the dominant pathways. The resulting benchmark HCl time-histories and rigorously validated model advance fundamental understanding of chlorine–nitrogen combustion chemistry and provide quantitative guidance for formulating halogenated energetic materials that maximise performance while limiting hazardous by-product formation. Importantly, the mechanism developed here may serve as a transferable gas-phase sub-model for future integration into comprehensive AP combustion frameworks, enabling more predictive simulations of real propellant systems.
研究领域:
燃烧化学
·
推进剂化学
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反应动力学
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气体动力学
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环境化学
·
能源材料
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