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JOURNAL OF THE ELECTROCHEMICAL SOCIETY · 2024 ·Vol. 171 ·期 11 ·111502 · IF 3.1

Experimental and Computational Insights into the Effects of -NH2 and -Cl Functional Groups on the Copper Corrosion Inhibition by Benzotriazole

Thanh Hai Pham,Viorel Chihaia,Phung K. Le,Do Ngoc Son

The influences of -NH2 and -Cl groups on the copper corrosion inhibition in 0.5 M H2SO4 solution by benzotriazole were studied using experimental methods and density functional theory calculations. Mass loss tests, potentiodynamic polarization, and surface morphology analyses revealed notable differences: while unmodified benzotriazole showed an inhibition efficiency of 76.6%, the -Cl derivative increased this to 87.6%, whereas the -NH2 derivative dropped it to 61.0% at the concentration of 5 × 10−4 M. Density functional theory calculations indicated these differences are not due to electronic properties or inhibitor-copper interaction energies but rather to the inhibitor's influence on the oxygen reduction reaction, especially O2 and H2O adsorption. The -NH2 group formed strong hydrogen bonds with O2 and H2O, reducing oxygen reduction inhibition, while the -Cl group repelled O2, resulting in enhanced inhibition. Free energy analysis of the oxygen reduction reaction supported these findings. These new insights into benzotriazole derivatives' copper corrosion inhibition mechanisms offer valuable guidance for developing next-generation corrosion inhibitors.

研究领域: 材料科学 · 化学
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Journal of Cleaner Production · 2020 · IF 7.246

Preparation of a syntan containing active chlorine groups for chrome-free tanned leather

Lidong Yu,Xihuai Qiang,Lu Cui,Bo Chen,Xinke Wang,Xiaohui Wu

In this research, a syntan containing active chlorine groups (SACG) was synthesized by the condensation of phenol sulfonic acid condensation product (PSAC) and cyanuric chloride (TCT). The structure and composition of as-received syntans were characterized by Fourier transform infrared spectrometer (FT-IR), nuclear magnetic resonance spectroscopy ( 1 H-NMR), and gel permeation chromatography (GPC). The thermal properties and morphology of the tanned leather were analyzed using thermogravimetric analysis (TGA) and scanning electron microscope (SEM). The results indicated that the multi-point active chlorine groups in syntans had an excellent cross-linking effect on collagen fibers, which increased the shrinkage temperature of leather to 81.6 °C. The tensile strength , the tearing strength, and the thickening rate of the tanned leather were 14.26 MPa, 42.56 N/mm, and 78.3%, respectively. The tanned leather exhibited flat and fine grain. The collagen fibers showed uniform dispersion. Besides, the SACG had remarkable environmental benefits compared with the traditional chrome tanning system by significantly reducing the content of chemical oxygen demand (COD), total solids (TS), dissolved solids (DS), suspended solids (SS), chloride, and total chromium analyses (T Cr ) in tannery wastewater and thus could be applied to non-pickling tanning system. Moreover, the SACG tanning technology is a promoting chrome-free tanning technology because of the facile, cost-effective, and environment-friendly performance, suggesting that this technology has great potential to be widely applied in leather manufacturing.

研究领域: 化学 · 皮革科学与工程 · 环境科学
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ACS Applied Nano Materials · 2023 · IF 5.9

Nondemanding In Situ Encapsulation Route to Ultrastable Perovskite Nanocrystals for White Light-Emitting Diodes

Chengli Wang,Mengqiang Zhang,Hui Yu,Wenjie Zhang,Ge Shi,Xiaomeng Zhang,Zhe Cui,Peng Fu,Minying Liu,Xiaoguang Qiao,Yanjie He,Xinchang Pang

Although tremendous advancement regarding the highly stable metal halide perovskite nanocrystals (PNCs) has been achieved, previous studies were primarily focused on green light-emitting PNCs (i.e., bromine-based PNCs). The stability of chlorine-based PNCs with a violet or blue emission property was still lagging behind that of their bromine-based counterparts. Herein, a nondemanding and versatile strategy for in situ encapsulating all-inorganic chlorine-based PNCs with multifold exceptionally high stabilities was presented. Well-ordered mesoporous silica enabled the confined growth of PNCs in its pores followed by the porosity sealing by tetramethyl orthosilicate hydrolysis, thereby rendering full encapsulation of chlorine-based PNCs in dense silica that originated from high-temperature calcination. This judiciously designed structure imparted enclosed violet/blue emitting PNCs impart with outstanding long-term stability (>1.5 year) with high photoluminescence quantum yield (i.e., 30.4%) in pure water as the result of complete isolation of PNCs from detrimental stimuli, eventually leading to the application in the white light-emitting diode device.

研究领域: 材料科学 · 光学工程
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BIOMASS & BIOENERGY · 2020 · IF 3.551

A recyclable and regenerable solid acid for efficient hydrolysis of cellulose to glucose

Shuyuan Jin,Jingwei Gong,Chao Yang,Yi Cheng,Jie Lu,Qiang Yang,Haisong Wang

Effective hydrolysis of cellulose to glucose is a crucial step to utilize lignocellulosic biomass for fuels and chemicals. In this study, we adopted the simple Blanc chloromethylation of commercially available Amberlyst-15 to fabricate enzyme-mimic solid acid (A-15-Cl) for cellulose hydrolysis. The results indicated that the chlorine group in A-15-Cl adsorbed cellulose and particularly oligosaccharides through hydrogen bonding while the sulfonic acid group cleaved the β-1,4 glycosidic bonds in cellulose and oligosaccharides. Due to the synergistic effect between the chlorine (adsorbing cellulose) and sulfonic acid (hydrolyzing cellulose) groups, A-15-Cl effectively hydrolyzed cellulose in water achieving a 67.2% glucose yield at 170 °C in 2 h. Moreover, A-15-Cl can be readily separated from the reaction medium by an 80-mesh screen for reuse at least five times without significant loss of catalytic activity .

CAS / MDL: 39389-20-3
研究领域: 生物化学 · 可再生资源
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ENVIRONMENTAL RESEARCH · 2022 · IF 8.431

Optimized titania nanotubes photoanode mediated photoelectrochemical oxidation of ammonia in highly chlorinated wastewater via Cl-based radicals

Sen Lu,Xuechuan Li,Yunkai Liao,Guan Zhang

Efficient removal of low-concentration ammonia from chlorinated wastewater is a challenge for decentralized wastewater treatment due to its notorious environmental effect and lethal influence on aquaculture. Photoelectrocatalytic (PEC) oxidation process is considered as an efficient and environment–friendly approach, whereas a low-cost and stable photoanode is crucial. In this study, TiO 2 nanotubes (TNTs) photoanode (Ar–TNT–500 °C) with excellent physicochemical and photoelectrochemical properties was prepared by optimizing the parameters of anodization, including the voltage/times of anodization and the atmosphere/temperature of heat treatment. During the synthesis, the electrochemical and heat treatment processes promoted the formation of oxygen vacancies (O V ) on the TNTs surface and enhanced its electrocatalytic activity. The optimized Ar–TNT–500 °C photoanode could selectively convert ammonia to N 2 (86%) and a small amount of nitrate (14%). Radical quenching and probe experiments confirmed that the ClO produced by rapid quenching of OH and Cl by free chlorine dominated the selective degradation of ammonia in the synergistic process of photocatalysis and electrocatalysis. The cycle of chlorine-based radicals (ClO and Cl ) and Cl − provided a continuous and efficient ammonia oxidation system, because chlorine-based radicals could efficiently and selectively oxidize ammonia and reduce the production of toxic (per) chlorate.

研究领域: 环境科学 · 材料科学 · 化学工程
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Nature Communications · 2024 ·Vol. 15 ·期 1 ·1-8 · IF 14.7

A rechargeable Ca/Cl2 battery

Geng Shitao,Zhao Xiaoju,Xu Qiuchen,Yuan Bin,Wang Yan,Liao Meng,Ye Lei,Wang Shuo,Ouyang Zhaofeng,Wu Liang,Wang Yongyang,Ma Chenyan,Zhao Xiaojuan,Sun Hao

Rechargeable calcium (Ca) metal batteries are promising candidates for sustainable energy storage due to the abundance of Ca in Earth’s crust and the advantageous theoretical capacity and voltage of these batteries. However, the development of practical Ca metal batteries has been severely hampered by the current cathode chemistries, which limit the available energy and power densities, as well as their insufficient capacity retention and low-temperature capability. Here, we describe the rechargeable Ca/Cl 2 battery based on a reversible cathode redox reaction between CaCl 2 and Cl 2 , which is enabled by the use of lithium difluoro(oxalate)borate as a key electrolyte mediator to facilitate the dissociation and distribution of Cl-based species and Ca 2+ . Our rechargeable Ca/Cl 2 battery can deliver discharge voltages of 3 V and exhibits remarkable specific capacity (1000 mAh g −1 ) and rate capability (500 mA g −1 ). In addition, the excellent capacity retention (96.5% after 30 days) and low-temperature capability (down to 0 °C) allow us to overcome the long-standing bottleneck of rechargeable Ca metal batteries.

研究领域: 材料科学 · 电化学
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CHINESE JOURNAL OF CATALYSIS · 2021 · IF 8.271

Donor-acceptor carbon nitride with electron-withdrawing chlorine group to promote exciton dissociation

Jing-Wen Zhang,Lun Pan,Xiangwen Zhang,Chengxiang Shi,Ji-Jun Zou

Carbon nitride (C 3 N 4 ) is promising for photocatalytic hydrogen production , but photogenerated electrons and holes in C 3 N 4 usually tend to exist as excitons due to intrinsic Coulomb interactions making its photocatalytic activity unsatisfactory. Herein, a well-designed intramolecular C 3 N 4 -based donor-acceptor (D-A) photocatalytic system was constructed to promote exciton dissociation. Due to its good chemical compatibility with melamine and appropriate sublimation property, 2-amino-4,6-dichloropyrimidine unit was chosen as the monomer to react with melamine to construct intramolecular D-A system (CNCl x ). The hydrogen evolution rate of CNCl 0.15 is 15.3 times higher than that of bulk C 3 N 4 under visible light irradiation, with apparent quantum efficiency of 13.6% at 420 nm. The enhanced activity is attributed to introduced electron-withdrawing −Cl group as terminal group in the resulted CNCl x samples, which can build internal electric field to promote the exciton dissociation into free electron and hole. In addition, lower work function value of CNCl x samples indicates that internal electric field can help free electrons and holes transfer to the surface of CNCl x samples for photocatalytic reaction.

研究领域: 材料科学 · 光催化化学
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ADVANCED FUNCTIONAL MATERIALS · 2025 · IF 19

Seamlessly Integrated, High-Output and Robust Triboelectric Nanoyarns: Continuously Electrospun Core-Sheath Architectures for Multimodal Sensing Platforms

Yiqun Chen,Jinrong Huang,Zixuan Liu,Yi Zou,Jianwen Chen,Zunfeng Liu,Yutian Zhu

Textile-based triboelectric nanogenerators (TENGs) have emerged as a transformative technology for self-powered wearable electronics. However, current textile-based TENGs predominantly employ multilayer architectures that introduce critical trade-offs: elevated mechanical rigidity, compromised air permeability, and interfacial instability. More fundamentally, their 2D geometry impedes textile-process integration and restricts dynamic biomechanical compatibility. To overcome these issues, a coaxial nanofiber yarn-based single-electrode TENG through a scalable one-step electrospinning that eliminates multilayer assembly via multiscale engineered core-sheath integration is developed. This approach achieves performance integration across multiple scales: through incorporating Cs 3 Bi 2 Cl 9 into poly(vinylidene fluoride-co-trifluoroethylene) (PVDF-TrFE) to enhance molecular-scale β-phase and dielectric properties, optimizing surface roughness at the micro/nano-scale, and forming a macroscale core-sheath structure with a triboelectric PVDF-TrFE/Cs 3 Bi 2 Cl 9 sheath. The resulting TENG demonstrates enhanced output performance and operational stability, thus enabling multifunctional applications including interactive guzheng digitization interfaces, textile classification with 95.83% accuracy, and self-powered Morse communication systems. When woven into a 2D fabric, this TENG achieves high-pressure sensitivity (3.64 V kPa −1 ), broad detection range (up to 50 kPa), extreme durability (>50 000 cycles), as well as inherent breathability, biocompatibility, and industrial washability. This work establishes a high-performance yarn-based TENG through scalable electrospinning, demonstrating practical applications in smart musical instruments and machine learning-enhanced fabric identification systems.

CAS / MDL: 1304-76-3 7647-17-8
研究领域: 材料科学 · 纳米技术 · 可穿戴电子学 · 能量收集 · 智能纺织品 · 传感器与传感系统
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Toxics · 2024 ·Vol. 12 ·期 11 ·808 · IF 3.9

Characterization of Disinfection By-Products Originating from Residual Chlorine-Based Disinfectants in Drinking Water Sources

Dongmei Yang,Jiale Huang,Fenli Min,Huixian Zhong,Jialu Ling,Qun Kang,Zhaohua Li,Lilian Wen

In this study, samples from the Yangtze River, Han River, and Liangzi Lake in Wuhan City were utilized to characterize the formation of disinfection by-products (DBPs) from chlorine-based disinfection residues in drinking water sources. The results indicated that the main DBPs in drinking water sources were trichloromethane (TCM) and trichloroacetic acid (TCAA). The generation of DBPs was significantly positively correlated with oxidative substances, aromatic compounds, pH, and ammonia nitrogen (NH 3 -N) content in the water. The concentration of TCAA increased from 0 to 2.45 ± 0.31 mg/L when the reaction time increased to 72 h. As the NaClO concentration increased from 5 mg/L to 15 mg/L, the concentrations of TCAA, TBM, and DCAN increased from 2.03 ± 0.04 mg/L, 0 mg/L, and 0 mg/L to 2.49 ± 0.34 mg/L, 0.21 ± 0.07 mg/L, and 0.10 ± 0.04 mg/L before decreasing to 1.75 ± 0.19 mg/L, 0.17 ± 0.07 mg/L, and 0.04 ± 0.05 mg/L, respectively. The orthogonal experimental results showed that Br − , NH 3 -N, and pH all had significant influences on the TCM generation, whereas temperature affected the formation of TCAA in the Han River. This work reveals the factors influencing the generation of DBPs from chlorine-based disinfection residues, offering a prevention and control method for DBPs in drinking water sources from a theoretical perspective.

CAS / MDL: 7722-64-7
研究领域: 环境科学 · 水处理 · 公共卫生 · 化学工程
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