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Frontiers in Chemistry · 2023 · IF 5.5

Solid-liquid equilibria in relevant subsystems of LiBr-NaBr-KBr-MgBr2-CaBr2-H2O system at 298.15 K

Cui Ruizhi,Peng Changwei,Nie Guoliang,Sang Shihua,Ren Hongbao,Li Wu

In view of the composition characteristics of lithium, calcium and bromine rich in Nanyishan oil and gas field brine of western Qaidam Basin, Qinghai Province, as well as based on the results reported in relevant literature, the phase equilibrium relationship of ternary system LiBr-CaBr2-H2O at 298.15 K was studied by isothermal dissolution equilibrium method. The equilibrium solid phase crystallization regions, as well as the compositions of invariant point, in phase diagram of this ternary system were clarified. On basis of the above ternary system research, the stable phase equilibria of quaternary systems (LiBr-NaBr-CaBr2-H2O, LiBr-KBr-CaBr2-H2O and LiBr-MgBr2-CaBr2-H2O), as well as quinary systems (LiBr-NaBr-KBr-CaBr2-H2O, LiBr-NaBr-MgBr2-CaBr2-H2O and LiBr-KBr-MgBr2-CaBr2-H2O) were further carried out at 298.15 K. According to the above experimental results, the corresponding phase diagrams at 298.15 K were drawn, which revealed the phase relationship of each component in solution and the law of crystallization and dissolution, and meanwhile summarized changing trends. The research results of this paper lay a foundation for further research on the multitemperature phase equilibria and thermodynamic properties of lithium and bromine containing high-component brine system in later stage, and also provide basic thermodynamic data for guiding the comprehensive development and utilization of this oil and gas field brine resource.

研究领域: 化学 · 热力学
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2020 · IF 2.369

Solid–Liquid Phase Equilibria in the Ternary System CaBr2–SrBr2–H2O at 273, 298, and 323 K

Xue-ping Zhang,Wei Wang,Han-zhong Zhang,Shi-hua Sang

In this paper, the stable phase equilibrium data of the ternary system CaBr2-SrBr2-H2O at T = 273, 298, and 323 K and 101.3 kPa have been determined by isothermal the dissolution equilibrium method. The phase diagrams of them at the investigated temperatures have been drawn. It is found that the isothermal phase diagrams of the CaBr2–SrBr2–H2O system at T = 273, 298, and 323 K are classified as a simple co-saturation type consisting of an invariant point and two univariant curves. The equilibrium solid phases corresponding to an invariant point of the system were detected as CaBr2·6H2O + SrBr2·6H2O at 273 and 298 K and those identified as CaBr2·4H2O + SrBr2·6H2O at 323 K. In this system, calcium bromide exhibits a strong salting-out effect on strontium bromide. Furthermore, isothermal solubilities at three temperatures were compared and discussed.

CAS / MDL: 71626-99-8 7789-53-9
研究领域: 化学 · 材料科学
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Solar RRL · 2021 ·Vol. 5 ·期 4 ·2000819 · IF 8.582

Tri-Brominated Perovskite Film Management and Multiple-Ionic Defect Passivation for Highly Efficient and Stable Solar Cells

Zekun Gong,Benlin He,Jingwei Zhu,Xinpeng Yao,Sudong Wang,Haiyan Chen,Yanyan Duan,Qunwei Tang

High-quality perovskite films with low imperfections, high hole mobility, and matching energy levels play a crucial role in enhancing performance of perovskite solar cells (PSCs) without hole-transporting materials (HTMs). Herein, it is demonstrated that the incorporation of a stable tetra-bisphenol A (TBBPA) with diphenyl ring, polybromides, and hydroxyl groups additive into a perovskite film can simultaneously manipulate the crystal growth and passivate the defects through coordination interaction between the functional group (  OH,  Br) and the unsaturated halogen and metal ions (Br − , Cs + , and Pb 2+ ), resulting in a reduced grain boundary as well as imperfection and increased hole mobility of the CsPbBr 3 perovskite film. In addition, the valence band of a perovskite film with TBBPA additive is shifted upward to approach the work function of the carbon electrode, thereby improving the energy level alignment. Consequently, a significantly boosted charge extraction and reduced charge recombination of the carbon-based HTM-free CsPbBr 3 PSCs is obtained after incorporating the TBBPA additive, yielding a maximum power conversion efficiency of up to 9.82% of the optimized device. Furthermore, the champion PSC without encapsulation displays a remarkable thermal and moisture stability after being kept in ambient air for 720 h at 85 °C and 85% relative humidity, respectively.

研究领域: 材料科学 · 光伏技术 · 化学工程
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ACS Applied Materials & Interfaces · 2024 · IF 8.3

Ultrafast Visual Detection of a Trace Amount of Water by Highly Efficient Hybrid Manganese Halides

Jie Zhang,Meng-Ping Ren,Man Xu,Zhonghui Zhang,Mingxue An,Yang Lu,Xiao-Wu Lei,Zhongliang Gong,Cheng-Yang Yue

A quantitative water detection method is urgently needed in storage facilities, space exploration, and the chemical industry. Although numerous physical techniques have been widely utilized to determine the water content, they still suffer from many disadvantages such as highly expensive special instruments, complicated analysis processes, etc. Hence, a convenient, rapid, and sensitive water analysis method is highly desirable. Herein, we developed a visual fluorescence sensing technology for water detection based on reversible PL off-on switching of organic–inorganic hybrid zero-dimensional (0D) manganese halides. In this work, a family of hybrid manganese halides were synthesized through a facile solution method, namely, [NH4(18-Crown-6)]2MnBr4, [Ca(18-Crown-6)·3H2O](18-Crown-6)MnBr4, [NH4(dibenzo-18-Crown-6)]2MnBr4, and [Ca(dibenzo-18-Crown-6)·2H2O]MnBr4. Excited by UV light, these highly crystalline manganese halides exhibit strong green light emissions from the d–d electron transition of Mn2+ with near-unity photoluminescence quantum yield and submillisecond lifetime. Benefiting from the dynamic and weak ionic bonding interactions, these 0D manganese halides display reversible water-response on/off luminescence switching but fail in any other aprotic solvents. Therefore, these 0D hybrid manganese halides can be explored as ultrafast visual fluorescence probes to detect the trace amount of water in organic solvents with multiple superiorities of rapid response time (< 2 s), ultralow detection limit (9.71 ppm), excellent repeatability, etc. The reversible water-response luminescent on/off switching also provides a binary optical gate with advanced applications in anticounterfeiting and information security, etc.

研究领域: 材料科学 · 化学工程
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Nano Energy · 2020 · IF 16.602

Triboelectric charging behaviors and photoinduced enhancement of alkaline earth ions doped inorganic perovskite triboelectric nanogenerators

Yudi Wang,Xiya Yang,Xueping Yu,Jialong Duan,Qianming Yang,Yanyan Duan,Qunwei Tang

The in-depth understanding on the electrification behavior of dielectric materials is a prerequisite to improve their surface triboelectric charge density in triboelectric nanogenerators (TENGs). Herein, triboelectric charging affinities and polarities of all-inorganic cesium lead tri-bromine (CsPbBr 3 ) and alkaline earth ions doped CsPb 1- x M x Br 3 (M = Mg 2+ , Ca 2+ , Sr 2+ , Ba 2+ , x  = 0–1) perovskites are systematically investigated by assembling into vertical contact-separation TENGs. An enriched triboelectric series supplemented with pristine CsPbBr 3 and CsPb 1- x M x Br 3 perovskites with quantified triboelectric charging polarity is presented through analyzing the electrical output performances, figure-of-merits (FOM), dielectric property , work function, bond energy and electron binding energy. Systematical analyses of three different configurations of dielectric/perovskite TENG, carbon/perovskite TENG and perovskite solar cell are compared in dark and under illumination. It is found that the photoinduced charges play significant role in enhancing the triboelectrification charges and altering charging polarity of perovskite. Our work supplements inorganic perovskites to triboelectric series and provides new insights on inorganic perovskite in the foundation of tribo-photovoltaic theory and triboelectric devices.

研究领域: 材料科学 · 能源技术 · 纳米科技
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CONSTRUCTION AND BUILDING MATERIALS · 2020 · IF 4.419

Early strength and microstructure of Portland cement mixed with calcium bromide at 5 °C

Feng Zhang,Yin Bai,Yuebo Cai

Under low temperature environment, the concrete strength develops slowly, which will seriously hinder the construction progress. Traditional early-strength components can not meet the requirements of green and high-performance concrete, combined with the research and application of early-strength accelerators under low temperature is relatively few, and its low-temperature early-strength performance is limited, the early strength development rate of specimens is far lower than that of blank samples at 20 °C, so it is urgent to develop new early-strength component to promote the strength development rate of concrete at low temperature. In this paper, calcium bromide (CaBr 2 ) was used as an early strength component to test the 1-, 3-, 7-, and 28-d compressive strengths of the mortars and cement pastes mixed with 0–1.0% CaBr 2 under 5 °C curing. CaBr 2 had a significant effect of early strength at low temperature (5 °C), and the strength of the specimens mixed with 1.0% CaBr 2 at each age was close to or even exceeded that of the contrast samples cured at 20 °C. The equilibrium method (gravimetric method) was used to study the effect of 1 mol/L of CaBr 2 in water on the dissolution of the single ores C 3 S at different ages. CaBr 2 could promote the dissolution of C 3 S at a low temperature of 5 °C, and the solubility of C 3 S had an obvious tendency to increase. Further, X-ray diffraction (XRD) analysis, scanning electron microscope (SEM) and energy-dispersive spectrometry (EDS) analysis and mercury infusion porosimetry (MIP) analysis were used to perform microscopic characterization (e.g., product composition, morphology, pore structure, etc.) of the hydration products of the cement single ores or mortars mixed with CaBr 2 . On this basis, the early-strength mechanism of CaBr 2 was discussed. CaBr 2 could promote the initial hydration of cement at low temperature (5 °C) and significantly increase the degree and rate of hydration of C 3 S and C 3 A single ores, and also generated new type of products, bromine-containing C–S–H gels and bromoaluminate calcium hydrate (Ca 4 Al 2 O 6 Br 2 ·10H 2 O), and the Ettringite and Ca(OH) 2 crystals were mostly formed on the surface of gel products or inside the pores. Large amounts of hydration products were generated, which refined the pore diameter of samples by reducing the most probable pore size and total porosity, thus making the microstructure of samples denser and enhancing the strength of specimens.

CAS / MDL: 7789-41-5
研究领域: 建筑材料学 · 材料科学
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JOURNAL OF MOLECULAR LIQUIDS · 2019 · IF 4.561

Discriminative ionic capabilities on hydrogen-bond transition from the mode of ordinary water to (Mg, Ca, Sr)(Cl, Br)2 hydration

Hengxin Fang,Zhixu Tang,Xinjuan Liu,Yongli Huang,Chang Q. Sun

It has been a long pursuit to discriminate the ionic roles of mono- and di-valent salt solutions in modulating the hydrogen bonding network and solution properties. We attended this issue by examining the effect of concentrated YX 2 (Y Mg, Ca, Sr; X Cl, Br) solvation on O:H O bonds transition from the mode of ordinary water to hydration in terms of the number fraction f YX2 ( C ) and the segmental O:H O bond phonon stiffness shift Δω(C) with C being the solute concentration. The invariant df Y ( C ) /  dC at C ≤ <0.05 suggests that the small Y 2+ forms a constantly-sized hydration droplet with weak responding to interference of other ions because its hydrating H 2 O dipoles screen mostly its electric field. However, the number inadequacy of the highly-ordered hydrating H 2 O dipoles partially screens the large X − . The X −  ↔ X − electrostatic repulsion weakens its electric field. The concentration-trend consistency of the f YX2 ( C ), the solution conductivity σ YX2 ( C ), and surface stress (contact angle) θ YX2 ( C ) for YX 2 solutions clarifies their common origin of ionic polarization. However, the Jones–Dale notion disobedience of the viscosity η YX2 ( C ) suggests the dominance of the inter-ion repulsion.

研究领域: 物理化学 · 材料科学
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CHEMICAL ENGINEERING JOURNAL · 2021 · IF 13.273

High-efficiency Ca2+ doping all-inorganic nanocrystals (CsPbBr3 and CsPbBr1I2) encapsulated in a superhydrophobic aerogel inorganic matrix for white light-emitting diodes

Ziyao He,Xiaojuan Liang,Weidong Xiang

All-inorganic halide perovskite nanocrystals (NCs) have become the most promising next generation luminescent materials due to their excellent properties. However, there are many nonradiative recombination defects in colloidal perovskite NCs, which reduce their luminescent efficiency and stability. In this work, we incorporated the alkaline-earth (AE) metal ion Ca 2+ into NCs to further improve the photoluminescence quantum yield (PLQY) of CsPbBr 3 and CsPbBr 1 I 2 NCs. The PLQY of green-emitting CsPbBr 3 and red-emitting CsPbBr 1 I 2 NCs can be boosted to 72.3% and 78.7%, respectively by doping the optimum amount of Ca 2+ . At the same time, we adopted a simple and low-cost one-pot method to integrate Ca 2+ -CsPbX 3 (X 3  = Br 3 , Br 1 I 2 ) NCs and superhydrophobic silica aerogels (AG), not only retaining the high PLQY of NCs, but also greatly improving the water, heat and light stability. Finally, the green-emitting Ca 2+ -CsPbBr 3 @AG, red-emitting Ca 2+ -CsPbBr 1 I 2 @AG composites and the blue chip as the light sources show a wide color gamut that accounts for 129% of the NTCS 1953 value and nearly 100% of the Rec.2020 value. Additionally, we fabricated white light-emitting diode (WLED) devices by coupling Ca 2+ -CsPbBr 1 I 2 @AG composites with commercial YAG:Ce 3+ phosphors on blue chips, obtaining bright white light with a color rendering index (CRI) up to 92.2.

研究领域: 材料科学 · 光学工程
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Advanced Materials Interfaces · 2022 ·Vol. 9 ·期 11 ·2102251 · IF 6.389

Reduced-Dimensional Engineering toward 2D R-P (OAm)2CsPb2Br7 Perovskite by Metal Ion Enabled Ligands Confinement Effect

Xupeng Gao,Qiang Hu,Xin Li,Po Lu,Yuan Zhong,Xinyu Shen,William W. Yu,Min Lu,Zhennan Wu,Siyao Yu,Xue Bai,Yu Zhang

The dimension is a leading parameter in customization of unique optoelectronic properties of halide perovskite, while it is still challenging to achieve dimension control beyond the well-developed composition regulation-based strategy considering their intrinsic feature of ionic crystal. In this paper, ligands-directed confinement effect is emphasized in rendering the reduced-dimensional engineering of halide perovskite, and quasi-2D (OAm) 2 CsPb 2 Br 7 ( n = 2) nanosheets are obtained by introducing a large amount of metal ions. As a representation, with Mg 2+ participation, the initial adsorption of organic ligands (i.e., OA and OAm) to inorganic components (i.e., [PbBr 6 ] 4− ) is promoted, conferring a ligands-directed surface reconstruction to form the lamellar structure composed of alternate organic and inorganic layers. Namely, the inorganic–organic lamellar ensemble will play as a soft template, which effectively restricts the growth of [PbBr 6 ] 4− in the c -axis direction even after the Cs-OA injection, thus producing the anisotropic layered perovskite of (OAm) 2 CsPb 2 Br 7 from CsPbBr 3 scenario. Notably, such reduced-dimensional engineering enables a remarkable luminescence tailoring, of which the deep blue emission centered at 439 nm is achieved. In addition, benefiting from such universal strategy, the luminescence is also dependent on the species of introduced metal ions (e.g., Ca 2+ , Co 2+ , Sr 2+ , and Mn 2+ ).

研究领域: 材料科学 · 光学
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GREEN CHEMISTRY · 2016 ·Vol. 18 ·期 9 ·2871-2876 · IF 8.506

Cooperative calcium-based catalysis with 1,8-diazabicyclo[5.4.0]-undec-7-ene for the cycloaddition of epoxides with CO2 at atmospheric pressure

Xi Liu,Shuai Zhang,Qing-Wen Song,Xiao-Fang Liu,Ran Ma,Liang-Nian He

A bifuncational catalytic system consisting of CaBr2 and 1,8-diazabicyclo[5.4.0]-undec-7-ene (DBU) was developed for the efficient fixation of CO2 with epoxides to cyclic carbonates. Such a dual catalysis facilitates the reaction to proceed smoothly at atmospheric CO2 pressure, presumably due to the simultaneous activation of CO2 by DBU and epoxides by CaBr2. In addition, the activation role of CaBr2 was also studied using density functional theory (DFT) calculations. A plausible mechanism involving the DBU–CO2 adduct-assisted ring opening path and the bromide anion-promoted ring opening path is proposed, in combination with the activation of epoxides by the calcium cation. This process represents a simple, cost-effective and biocompatible route to obtain cyclic carbonates from CO2 under mild conditions, especially at atmospheric CO2 pressure.

CAS / MDL: 7789-41-5
研究领域: 化学 · 环境科学
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JOM · 2021 ·Vol. 74 ·期 2 ·622-633 · IF 2.474

The Partitioning Behaviors of Au, Ag, and Sn in the Cu-FeOX-SiO2-CaO-Al2O3 Smelting System in the Presence of Halogen Elements

Liu Zhihong,Ye Fengchun,Chen Rui,Wang Hongjun,Xia Longgong

Halogen-containing organic components in waste electrical and electronic equipment have an obvious influence on the distribution behaviors of valuable metals during the smelting processes. However, the mechanism is still incomplete in the literature. The equilibration-quenching-(ICP+EPMA) experimental technique has been applied in studying the partitioning behaviors of Au, Ag, and Sn in the Cu-FeO x -SiO 2 -CaO-Al 2 O 3 smelting system in the presence of halogen elements (F, Cl, Br). The obtained results showed that: (1) 93% Au terminated into the alloy phase in CaF 2 adding experiments, and a maximum of 32% Au reported to the gas phase in CaCl 2 or CaBr 2 adding experiments; (2) 22–49% Ag entered the gas phase when adding CaF 2 into the system, and 3–34% Ag entered into the gas phase when adding CaCl 2 or CaBr 2 ; and (3) halogen elements influenced Sn dramatically, and portions of Sn in the gas phase and slag phase increased along with increasing temperature or halides dosage.

研究领域: 冶金学 · 材料科学
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ACS Applied Materials & Interfaces · 2021 · IF 9.229

Strain-Durable High-Conductivity Nylon-6 Fiber with 1D Nanomaterial Lamellar Cladding for Massive Production

Zhihao Yang,Chaoyi Yin,Haiyang Lu,Hao Wu,Sara Shamin,Long Ba

Electrically conductive polymer fibers with high woven properties are in demand by broad application fields. The design of these materials for massive production requires high electrical conductivity, efficient fabrication yield, and economic accessibility. Here, we proposed a technique for fabricating continuous polymer fibers coated with 1D materials. By alternately coating conducting carbon black/polyurethane (PU) composites, single-walled carbon nanotubes (SWCNTs), and/or Ag nanowires (AgNWs) on Nylon-6 continuous fiber, lamellar cladding forms a compact conducting shell on the core fiber. The conductive fiber was continuously fabricated using the coaxial micro-painting technique of a 1D material solution. By keeping the size of the droplet constant at the vicinity of the tip of the flexible micro-painter, the Plateau–Rayleigh (P–R) instability of the wetting layer was depressed at fiber velocity far beyond inertial wetting. The fiber with a 2 μm-thick shell exhibits a conductivity of 53 ± 8 Ω/cm at a coating weight ratio of ∼6 wt % silver corresponding to a fiber conductivity of about 1665 S/cm. The much higher strain durability of the fiber coated with SWCNTs and AgNWs’ lamellar structure than the fiber coated with only silver nanowires was explained by the local interlayer conducting paths from the AgNW layer to the SWCNT layer. The fiber maintains 90% conductivity after 105 repeated folding or knotting on the monofilament. The conducting yarns were designed and fabricated into electric circuits in textile. As a typical biomedical and flexible electronic application, a low-frequency electrocardiogram (ECG) signal on these circuits was demonstrated.

研究领域: 材料科学 · 柔性电子 · 生物医学工程
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