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FUEL · 2022 · IF 8.035

Constructing thinner micropore-enriched carbon skeleton through molecular configuration transformation of hexose isomers to boost oxygen reduction reaction in Al-air battery

Jiayu Hao,Yanqiu Wang,Kuang Sheng,Yahui Yang,Zhongliang Tian,Yang Liu,Wenzhang Li,Jie Li

Oxygen reduction reaction (ORR) is the core process of metal-air battery. Glucose and fructose are the primary monomers in biomass. In this work, the molecular configuration transformation between pyranose (glucose) and furanose (fructose) is selected as an entry point to construct thinner micropore-riched carbon skeleton with high amount of active sites. The molecular configuration transformation from furanose to pyranose increases the activation barrier associated with the molecular conversion, self-assembly, and aromatization reaction. The higher activation barrier slows the dynamic pyrolysis process, which favors the pore-forming and graphitization of precursors. The Glu-SSC-950–1 (derived from pyranose) exhibits a larger electrochemical active surface area (ECSA) and faster electron transfer, concretely, double-layer capacitance increases from 7.4 to 14.9 mF cm −2 . And the Glu-SSC-950–1 exhibits a higher half-wave potential (0.847 V) and kinetic current density at half-wave potential (3.91 mA cm −2 ) than Fru-SSC-950–1 (derived from furanose, 0.801 V, 2.92 mA cm −2 ). In practical application, the Al-air battery with Glu-SSC-950–1 exhibits a superior peak power density (467.8 mW cm −2 ) than Fru-SSC-950–1 (400.7 mW cm −2 ). In general, we present an approach for the preparation of highly active ORR biomass-derived carbon.

CAS / MDL: 50-99-7 7660-25-5
研究领域: 材料科学 · 电化学 · 生物质能
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DYES AND PIGMENTS · 2025 · IF 4.2

Optimizing bicontinuous network morphology by precisely regulating alkyl sulfur group side-chain for organic solar cells

Junhong Liang,Xudong Li,Furong Shi,Jinye He,Sheng Guan,Yuan Zhou,Pengzhi Guo,Chenglong Wang,Yangjun Xia

Continuous interpenetrating network morphology on the performance of organic solar cells (OSCs) have the effect of ease, how to control the bulk heterojunction (BHJ) the formation of the fiber morphology is of vital importance. In this study, a series of polymers were synthesized by rationally varying the atoms connecting the conjugated backbone and side chains, PBDT-T-SBDD, PBDT-TS-SBDD and PBDT-TDS-SBDD were used to systematically study the effects of sulfur atom on the electron conformation of the molecule, the morphology of the blend film and the properties of the device. We found that the introduction of sulfur atoms can enhance the intermolecular interaction, thus reducing the energy disorder of the blend film. However, excessive introduction of sulfur atoms leads to excessive steric hindrance of side chain of the molecules, resulting in excessive local aggregation. Compared with PBDT-T-SBDD: Y6 and PBDT-TDS-SBDD: Y6-based OSCs, PBDT-TS-SBDD: Y6-based OSCs has both higher photovoltaic performance, reaching a PCE of 11.33 %, due to the well-defined fiber structure which significantly improves the charge transport channel and phase separation of the blend film.

研究领域: 材料科学 · 能源科学
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APPLIED SURFACE SCIENCE · 2024 · IF 6.3

Boosting the performance of Quasi-2D perovskite Light-Emitting diodes by tailoring molecular configurations of Carboxyl-Based additives

Mengjie Pan,Xiaofeng Wang,Chengkai Gong,Dan Zhang,Yixing Zhao,Fan Li

Quasi two-dimensional (quasi-2D) perovskites have shown huge potential for perovskite light-emitting diodes (PeLEDs). Nevertheless, the serious non-radiative recombination induced by numerous defects in polycrystalline quasi-2D perovskite films hinders their further development. Herein, three carboxyl-based additives with different molecular configurations, i.e. butyric acid (BAC), glutaric acid (GAC) and tricarballylic acid (TAC), are adopted as passivation agents for quasi-2D PeLEDs. Benefiting from the strong coordination interaction between –COOH and perovskites, the inclusion of carboxyl-based additives can effectively optimize film morphologies, regulate the distribution of small-n phases, passivate defects and enhance film stability. With the increase of the carboxyl group number and molecular spatial dimension of carboxyl-based additives, more compact and smoother quasi-2D perovskite films, together with narrower phase distribution, lower defect density and better stability, can be obtained. Consequently, the unpacked quasi-2D PeLED treated with TAC, which is tested in the ambient air with the relative humidity of about 50 %, delivers an external quantum efficiency (EQE) of 14.21 % and prolonged operational lifetime (T 50 ) of 2160 s, while the pristine device only gives an EQE of 7.63 % and T 50 of 460 s. Our work provides guidance for boosting the performance of quasi-2D PeLEDs by rationally tailoring molecular configurations of carboxyl-based additives.

研究领域: 材料科学 · 光电子学
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Journal of Materials Chemistry A · 2022 ·Vol. 10 ·期 25 ·13368-13377 · IF 14.511

A strong phase separation polyurethane for self-repairing large-scale damage

Mengyu Li,Xin Han,Zewen Fan,Hao Chen,Yu Zhang,Lin Zhang,Dan Guo,Guoxin Xie

Self-repairing materials with high strength can repair cracks easily but are unable to repair large-scale damage because high strength and self-repair effects on large-scale damage are mutually exclusive; as a result, their performance hardly supports the purpose for which they can be commercialized. Therefore, the development of high-strength materials that are capable of self-repairing large-scale damage is an important area of research. Here, we report a self-repairing polyurethane material with targeted repair effects on large-scale damage with a width of over 1 mm. The notable self-repair effect on the large-scale damage of the prepared high-strength materials is controlled by the disordered hydrogen bonds within polyurethane chain segments. The targeted repair effect that can be initiated by temperature is induced by the difference between the internal and external chemical components of the polyurethane. The changes in the molecular configuration caused by the synergistic dynamic bond structure give rise to the targeted and large-scale damage self-repairing effects. This strategy of using the asymmetric synergistic molecular structure provides a new design approach for commercial self-repairing materials that can further extend the service life of commercial polymeric materials.

CAS / MDL: 4098-71-9 25190-06-1
研究领域: 材料科学 · 聚合物化学 · 机械工程
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JOURNAL OF APPLIED POLYMER SCIENCE · 2016 ·Vol. 134 ·期 5 · IF 1.866

CO2-switchable polymeric vesicle-network structure transition induced by a hairpin-line molecular configuration conversion

Xianwu Jing,Hongsheng Lu,Baogang Wang,Zhiyu Huang

A triblock copolymer, containing a polyethylene glycol (PEG) block and two symmetrical poly(2-(dimethylamino)ethyl methacrylate) (PDM) blocks, was synthesized by using PEG-based macroinitiator with copper-mediated living radical polymerization. The conductivity tests showed that the copolymer exhibited switchable responsiveness to CO 2 , i.e., a relatively high conductivity of solution can be switched on and off by bubbling and removing of CO 2 . According to the nuclear magnetic resonance results, the CO 2 -switchable conductivity variation could be attributed to protonation and deprotonation of tertiary amine groups in PDM blocks. Moreover, at a proper weight concentration 0.5%, the copolymer aqueous solution displayed a CO 2 -switchable viscosity variation. Scanning electron microscopy, cryogenic transmission electron microscopy, and dynamic light scattering characterization jointly demonstrated that the viscosity variation was the result of a CO 2 -switchable vesicle-network aggregate structure transition. This structure transition can actually be attributed to a hairpin-line molecular configuration conversion in terms of the reasonable mechanism discussion. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017 , 134 , 44417.

研究领域: 高分子化学 · 材料科学
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JOURNAL OF MOLECULAR LIQUIDS · 2019 · IF 4.561

pH-responsive foams based on a transition between a bola surfactant and a traditional surfactant

Zhaolan Zhai,Ji Xu,Xinyan Yan,Zhanqian Song,Shibin Shang,Xiaoping Rao

pH-responsive aqueous foams were prepared by using a totally rigid surfactant, sodium N -azobenzenemaleimidepimaric carboxylate (Na-MPA-AZO-Na), derived from rosin. When the pH of aqueous solution decreases from 12.35 to 9.31, a Bola surfactant converts into a traditional surfactant containing a hydrophilic group and a hydrophobic group (Na-MPA-AZO), which severely affects the foaming ability and foam stability. And such changes of molecular configuration were rare reported. When the pH of aqueous solution is 9.31, the Na-MPA-AZO molecule tends to be upright at the air/water interface, which results in a close surfactant arrangement. The original volume of foams at 2 mM is 72 mL, and its half-life is up to 2145 min, which are far larger than that of sodium dodecyl sulfate (SDS) at the same concentration as a reference. When the pH of aqueous solution is 12.35, the Bola surfactant Na-MPA-AZO-Na tends to lie at the air/water interface in a V configuration, which leads Na-MPA-AZO-Na easily to desorb from the interface. The original volume of foams at 2 mM is only 9.5 mL, and its half-life is only 2 min, the foams will completely disappear in 6 min. The stable and unstable foams can be reversed at least 3 times by alternating the pH between 9.31 and 12.35. Besides, because of the fixed positions of carbon atoms in the totally rigid skeleton, the pH-responsive foams show highly pH-responsive efficiency.

CAS / MDL: 151-21-3
研究领域: 化学 · 材料科学
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TRIBOLOGY INTERNATIONAL · 2025 · IF 6.9

Molecular structure insight into the lubricating performance of heterocyclic ester oil and their film-forming interaction

Jingyu Shan,Yuhua Song,Ping Wen,Rui Dong,Mingjin Fan

Ester oils are characterized as an important component of high-performance lubricants by virtue of their unique physicochemical properties and high degree of molecular design. Not all ester oil molecules exhibit lubricating and load-carrying properties, which are influenced by the molecular structure. Herein, ester oils containing heterocyclic diester structure were designed and synthesized, and alkyl diester (1088) were selected as reference samples. By comparative exploration of viscosity-temperature properties, thermal stability and adsorption performance, molecular configurations with low steric hindrance are more conducive to the adsorption stability of polar ester-based molecules at metal interfaces. Compared to the control sample, the synthesized ester oil exhibits certain friction-reducing and anti-wear properties, whose performance is affected by the position of substituent in the case of the same ester structure. The conformation of the substituent group in a position adjacent to the ester group contributes more to lubrication stability. This work provides theoretical guidance for the relationship between the molecular structure of high-performance ester oil and the structural evolution of its interfacial tribofilm.

CAS / MDL: 122-62-3
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TRIBOLOGY INTERNATIONAL · 2024 · IF 6.1

Influences of the spacing between nitrogen atoms on tribological performance of dual active site phosphorus-nitrogen (P-N) ionic liquid

Yue Lou,Yuxiang Liang,Mengya Zhao,Wenqi Rui,Zhenming Li

Four dual active site ionic liquids (ILs): N2NP0, N4NP0, N6NP0, N10NP0 and three single active site ILs: N2P0, N3P0, N8P0 were synthesized successfully, furthermore, anti-wear and extreme pressure properties of the additives were tested with 0.5 wt% concentration in PAO10 base oil. The results showed that N6NP0 with carbon chain length of six between the nitrogen atoms exhibits the best tribological performance (The wear scar diameter is 0.39 mm, the values of P B (the last non-seizure loads) and P D (weld points) were 135 Kgf and 200 Kgf, respectively), which is mainly attributed to the formed thicker tribo-film (thickness of 50–60 nm) on the friction surface. Through analyzing the tribological morphology, chemical composition and tribo-film microstructure of wear scars surface by SEM-EDS, 3D profile, AFM, XPS and FIB-TEM, the lubrication mechanism of ILs was revealed. Furthermore, density functional theory (DFT) calculations confirmed that the tribological performance of dual active site ionic liquid additives depend strongly on their molecular configuration. It was found that rational adjustment of the length of the ILs cationic active site linkage group results in a reduction of the steric hindrance of the entire molecule. This study will help to guide the design of ILs with good tribological performance and low phosphorus content.

研究领域: 摩擦学 · 材料科学 · 化学工程
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