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n-Type conjugated polymers comprising bithiophene imide and multifluorinated thiophene moieties synthesized by direct arylation polycondensation

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JOURNAL OF MATERIALS CHEMISTRY C 2022年第37期10卷 13905-13912页

作者： Cai, Houji zhang, xuwen Shi, Yibo Xu, Chenhui Wang, Tianzuo Wang, Cheng Du, Tian Deng, Yunfeng Geng, Yanhou Tianjin Univ Sch Mat Sci & Engn Tianjin 300072 Peoples R China Tianjin Univ Tianjin Key Lab Mol Optoelect Sci Tianjin 300072 Peoples R China Tianjin Univ Joint Sch Natl Univ Singapore & Tianjin Univ Int Campus Fuzhou 350207 Peoples R China

We synthesized four n-type conjugated polymers comprising a bithiophene imide (BTI) unit and 3,3 ',4,4 '-tetrafluoro-2,2 '-bithiophene (4FBT) or (E)-1,2-bis(3,4-difluorothien-2-yl)ethene (4FTVT) via direct arylation polycondensation, and comprehensively studied the optical, electrochemical and charge transport properties of the polymers. Increasing the BTI acceptor unit from one to two in the repeating unit slightly decreased the frontier molecular orbital levels of the polymers and blue-shifted their absorption spectra. Moreover, this change altered the molecular packing from an edge-on backbone orientation to bimodal packing with mixed edge-on and face-on orientations. When used as semiconductor layers in organic thin-film transistors, all four polymers exhibited unipolar n-type transport behavior with the highest saturation and a linear electron mobility of 0.72 and 0.67 cm(2) V-1 s(-1), respectively. Our findings suggest that direct arylation polycondensation can serve as an ecofriendly protocol for the synthesis of high-performance n-type conjugated polymers based on BTI through careful molecular design.

关键词： Ethylene

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"Twisted" small molecule donors with enhanced intermolecular interactions in the condensed phase towards efficient and thick-film all-small-molecule organic solar cells

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JOURNAL OF MATERIALS CHEMISTRY A 2023年第26期11卷 13984-13993页

作者： Cheng, Xiafei Liang, Ziqi Liang, Shifeng zhang, xuwen Xu, Jie Xu, Yan Ni, Wang Li, Miaomiao Geng, Yanhou Tianjin Univ Sch Mat Sci & Engn Tianjin Key Lab Mol Optoelect Sci Tianjin 300072 Peoples R China Tianjin Inst Power Sources Sci & Technol Power Sources Lab Tianjin 300384 Peoples R China Sinopec Beijing Res Inst Chem Ind Co Ltd Beijing 100013 Peoples R China Joint Sch Natl Univ Singapore & Tianjin Univ Int Campus Tianjin Univ Fuzhou 350207 Peoples R China

How to achieve high crystallinity and suitable phase scale simultaneously from the perspective of molecular engineering remains a long-standing challenge for all-small-molecule organic solar cells (ASM-OSCs). Herein, two small molecule donors, named DRTT-2Se (with two alkylselenophenyl chains) and DRTT-6Se (with six alkylselenophenyl chains), were designed and synthesized by introducing "twisted" backbones and building units with strong intermolecular interactions. The "twisted" skeletons of the molecules can suppress the molecular crystallization and avoid excessive aggregation during the film forming process, while the strong intermolecular interactions of the building units can encourage the formation of ordered molecular packing and nanoscale phase separation via post-treatments. Owing to the enhanced intermolecular interactions induced by alkylselenophenyl side chains, DRTT-2Se and DRTT-6Se with a "twisted" structure displayed more ordered pi-pi packing, and retained the similar nanoscale microstructures in the blend films in comparison to the "twisted" molecule with alkylthiophenyl side chains (DRTT-T), yielding improved hole transport and reduced charge recombination in OSCs. In addition, the alkylselenophenyl substituted molecules showed higher HOMO energy levels, which caused the larger HOMO offset to drive exciton dissociation, but did not increase the energy loss. As a result, the ASM-OSCs based on the selenophene-containing donors exhibited higher FF and J(sc), and similar V-oc, yielding superior PCEs (14.79% and 15.03%) compared to the DRTT-T based device (13.37%). More importantly, the appropriate film morphology made the device efficiency of DRTT-2Se and DRTT-6Se less sensitive to the thickness of active layers. This study provides some implications in designing small molecule donors with suitable crystallization behavior towards high-performance ASM-OSCs.

关键词： Molecules

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Adsorption of Orange G on Activated Porous Carbon Derived from Coal Tar Pitch: Experimental and DFT Study

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LANGMUIR 2024年第48期40卷 25471-25482页

作者： Huang, Linlin zhang, xuwen Liu, Tingting Wang, Lin Li, Lixin Li, Da Sheng, Tao Dong, Zilong Zhao, Xinyue Heilongjiang Univ Sci & Technol Coll Environm & Chem Engn Harbin 150022 Peoples R China Harbin Inst Technol State Key Lab Urban Water Resource & Environm Harbin 150000 Peoples R China Northeast Agr Univ Sch Resources & Environm Harbin 150030 Peoples R China

A coal tar pitch-based porous carbon adsorbent (CPA) was synthesized through a straightforward method involving the heating of a mixture of KOH and coal tar pitch (CTP). This CPA exhibited a high surface area of 1811.2 m2 g-1 and a large pore volume of 0.94 cm3 g-1 when prepared with a CTP to KOH mass ratio of 1:4 at 800 degrees C. Parameters such as the heating temperature and activator dose were optimized to enhance the adsorption efficiency. The prepared CPA was extensively characterized by SEM, XRD, FTIR, and BET measurements. Notably, CPA presented a distinct adsorption performance for Orange G (OG), achieving a maximum adsorption capability of 449.7 mg g-1. Kinetic studies indicated that the adsorption process followed the pseudo-second-order model, while the adsorption isotherm data demonstrated that both chemical and physical interactions favored OG adsorption. Thermodynamic analysis revealed that the adsorption of OG on CPA was spontaneous and exothermic and increased the entropy. Density functional theory (DFT) calculations provided insights into the adsorption mechanism, highlighting electrostatic interactions, hydrogen bonds, and pi-pi interactions as the dominant processes governing OG adsorption onto the adsorbent.

关键词： Potassium hydroxide

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Explicit Solutions to the n-dimensional Semi-stationary Compressible Stokes Problem

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INTERNATIONAL JOURNAL OF THEORETICAL PHYSICS 2025年第2期64卷 1-11页

作者： zhang, Lijun Zhao, Qiong Huo, xuwen Khalique, Chaudry Masood Zhejiang Univ Sci & Technol Hangzhou 310023 Zhejiang Peoples R China Shandong Univ Sci & Technol Coll Math & Syst Sci Qingdao 266590 Shandong Peoples R China Zhejiang Scitech Univ Hangzhou Sch Comp Sci & Technol Zhejiang 3100018 Peoples R China North West Univ Fac Nat & Agr Sci Mat Sci Innovat & Modelling Res Focus Area Mafikeng Campus ZA-2735 Mmabatho South Africa

The n-dimensional semi-stationary compressible Stokes equations, established to model the dynamics of vortices in the Ginzburg-Landau theories in superconductivity, is a simplification of the isentropic compressible Navier-Stokes equations. This model equation can also be derived from the equations for the flows in compressible porous media in petroleum engineering or in compressible tissues. In this work, we investigate the n-dimensional semi-stationary compressible Stokes equations and obtain a family of explicit solutions in which the density does not change with space variables but decays to zero with time increasing exponentially, while the velocity is a quadratic polynomial of the space variables. It is worth pointing out that our results not only include the known results for n=2\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$n=2$$\end{document} and n=3\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$n=3$$\end{document} in Xue and Dong (Int. J. Theor. Phys. 63(6), 151 (2024)), but also present the explicit solutions to the semi-stationary compressible Stokes equations in arbitrary higher dimensional space.

关键词： Compressible fluids Semi-stationary compressible Stokes problem Explicit solutions

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A Mixed-Ligand Strategy to Modulate P3HT Regioregularity forHigh-Efficiency Solar Cells

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MACROMOLECULES 2022年第8期55卷 3078-3086页

作者： Liu, Yang Xian, Kaihu zhang, xuwen Gao, Mengyuan Shi, Yibo Zhou, Kangkang Deng, Yunfeng Hou, Jianhui Geng, Yanhou Ye, Long Tianjin Univ Sch Mat Sci & Engn Tianjin Key Lab Mol Optoelect Sci Tianjin 300350 Peoples R China Chinese Acad Sci Inst Chem Beijing Natl Lab Mol Sci State Key Lab Polymer Phys & ChemCAS Res Educ Ct Beijing 100190 Peoples R China Joint Sch Natl Univ Singapore & Tianjin Univ Fuzhou 350207 Peoples R China

Sustainable synthesis of polythiophenes (e.g.,P3HT) is highly desired for the development of low-cost organicsolar cells. Regulating the regioregularity of P3HT is a promisingway to boost its performance. Yet, few eco-friendly methods canprepare P3HT with tunable regioregularity. Herein, we put forwarda facile strategy tofinely modulate the regioregularity of P3HTfrom 90% to 98% by tuning the molar ratio of two ligands in directarylation polycondensation. Moreover, the ligand effect onregioregularity is well elucidated with DFT calculations, and theregioregularity effect of P3HT in non-fullerene solar cells isclarified for thefirst time. Our calorimetric, microscopic, and scattering results show that regioregularity strongly impacts thepolymer crystallinity and phase separation, and device performance of the blendfilms. The P3HT batch with a regioregularity of 95%yields an unprecedented power conversion efficiency of 10.82%. Importantly, this realizationfirmly provides optimism for cheapmaterials such as polythiophenes, which are made via eco-friendly polycondensation for the application of solar cells and beyond.

关键词： Crystallinity Organic polymers Photovoltaics Power conversion efficiency Solar cells

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A novel hybrid battery thermal management system using TPMS structure and delayed cooling scheme

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APPLIED THERMAL ENGINEERING 2025年 259卷

作者： Yang, Haonan Wang, Zhaohui Bao, Rongqing zhang, Bowen Zhu, xuwen Wang, Hongxia Wuhan Univ Sci & Technol Key Lab Met Equipment & Control Technol Minist Educ Wuhan 430081 Hubei Peoples R China Wuhan Univ Sci & Technol Hubei Key Lab Mech Transmiss & Mfg Engn Wuhan 430081 Hubei Peoples R China Wuhan Univ Technol Xiangyang Demonstrat Zone Hubei Longzhong Lab Xiangyang 441000 Hubei Peoples R China Hubei Univ Automot Technol Coll Mech Engn Shiyan 442002 Hubei Peoples R China

Phase change material (PCM) cooling plays an important role in battery thermal management systems (BTMS). However, PCM has been suffering from low thermal conductivity and inefficient latent heat recovery. Based on this, this study designs a hybrid BTMS combining triply periodic minimal surface (TPMS), PCM, and liquid cooling, and proposes a cooling scheme that determines the operating time of the coolant based on the battery temperature. The system aims to improve the utilization of PCM in two different ways: structural design and cooling scheme. Numerical analysis was used to compare the effects of different structures on the melting rate of PCM and to study the thermal performance of the battery module under various cooling schemes. The results show that the effective thermal conductivity of PCM/TPMS composites reaches 21 W/(m & sdot;K), which can effectively enhance the heat absorption rate of PCM. In particular, the I-graph-and-wrapped-package (IWP) structure combined with PCM is the most effective. Under the continuous cooling scheme, when the coolant flow rate is 0.04 m/s, the temperature of the battery at a 3C discharge rate can be controlled at 308.28 K, but the PCM utilization rate is only 0.25. After adopting the delayed cooling scheme, the performance of the BTMS cooling remains excellent, with the battery temperature at only 309.88 K and the liquid phase rate of PCM reaching 0.97. For the first time, the heat absorbed by passive cooling is comparable to that of active cooling in the BTMS heat absorption energy distribution, with a 73 % reduction in pumping energy consumption. Furthermore, under cycling conditions, the delayed cooling scheme still performs well, keeping the battery temperature below 313.15 K. In addition, it should be noted that the flow rate of the coolant should be determined by the charging rate. Additionally, the BTMS is capable of addressing the heat dissipation challenges in different ambient temperatures. This study can guide for

关键词： Phase change material Triply periodic minimal surface Delayed cooling scheme Battery thermal management system

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C1,1-RECTIFIABILITY AND HEINTZE-KARCHER INEQUALITY ON Sn+1

arXiv

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arXiv 2021年

作者： zhang, xuwen School of Mathematical Sciences Xiamen University Xiamen361005 China

In this paper, by isometrically embedding (Sn+1gSn+1) into Rn+2, and using nonlinear analysis on the codimension-2 graphs, we will show that the level-sets of the distance function from the boundary of any open set in sphere, are C1,1-rectifiable. As a by-product, we establish a Heintze-Karcher inequality on *** Codes 35B65, 49Q15, 49Q20, 53C21 Copyright © 2021, The Authors. All rights reserved.

关键词： Nonlinear analysis

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The Role of Glutathione S-Transferase in the Regulation of Plant Growth, and Responses to Environmental Stresses

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Phyton-International Journal of Experimental Botany 2025年第3期94卷 583-601页

作者： Chen Lin Zidan zhang Zhao zhang Yuxiang Long xuwen Shen Jinghao zhang Youping Wang Key Laboratory of Plant Functional Genomics of the Ministry of Education Yangzhou UniversityYangzhou225009China Jiangsu Key Laboratory of Crop Genomics and Molecular Breeding Yangzhou UniversityYangzhou225009China

Glutathione S-transferases (GSTs) represent a large and diverse enzyme family ubiquitously distributed across the plant kingdom. These proteins catalyze the conjugation of glutathione (GSH) with electrophilic substrates in response to various stress conditions. Beyond their role in stress adaptation, certain GSTs are integral regulators of plant growth and development, contributing to a range of physiological processes. Most GST proteins exhibit dual enzymatic activities, functioning as both transferases and peroxidases, which enables their involvement in diverse cellular processes, including detoxification and stress responses. Recent advancements, particularly in X-ray crystallography, have enabled detailed structural analysis of GST proteins, significantly enhancing our understanding of their biological functions. This review offers a comprehensive overview of the classification and structural characteristics of GSTs in plants. It also highlights recent findings on their roles in plant growth and development, cell signaling, catalytic transport, and stress tolerance. Furthermore, key scientific challenges related to GSTs are discussed, focusing on their potential applications in agriculture. These insights aim to facilitate the screening of functional GST genes and support molecular breeding efforts across diverse crop species.

关键词： Glutathione S-transferase biotic and abiotic stress plant growth and development signal transduction biological functions

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Retinal defects in mice lacking the autism-associated gene Engrailed-2

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NEUROSCIENCE 2019年第0期408卷 177-190页

作者： zhang, xuwen Piano, Ilaria Messina, Andrea D'Antongiovanni, Vanessa Cro, Fabiana Provenzano, Giovanni Bozzi, Yuri Gargini, Claudia Casarosa, Simone Univ Trento Dept Cellular Computat & Integrat Biol CIBIO Trento Italy Univ Pisa Dept Pharm Pisa Italy Univ Trento Ctr Mind Brain Sci CIMeC Rovereto Italy Univ Pisa Dept Clin & Expt Med Pisa Italy CNR Neurosci Inst Pisa Italy

Defective cortical processing of visual stimuli and altered retinal function have been described in autism spectrum disorder (ASD) patients. In keeping with these findings, anatomical and functional defects have been found in the visual cortex and retina of mice bearing mutations for ASD-associated genes. Here we sought to investigate the anatomy and function of the adult retina of Engrailed 2 knockout (En2(-/-)) mice, a model for ASD. Our results showed that En2 is expressed in all three nuclear layers of the adult retina. When compared to age-matched En2(+/+) controls, En2(-/-) adult retinas showed a significant decrease in the number of calbindin(+) horizontal cells, and a significant increase in calbindin(+ )amacrine/ganglion cells. The total number of ganglion cells was not altered in the adult En2(-/-) retina, as shown by Brn3a(+) cell counts. In addition, En2(-/-) adult mice showed a significant reduction of photoreceptor (rhodopsin) and bipolar cell (Pcp2, PKC alpha) markers. Functional defects were also present in the retina of En2 mutants, as indicated by electroretinogram recordings showing a significant reduction in both a-wave and b-wave amplitude in En2(-/-) mice as compared to controls. These data show for the first time that anatomical and functional defects are present in the retina of the En2 ASD mouse model. (C) 2019 IBRO. Published by Elsevier Ltd. All rights reserved.

关键词： retina electroretinogram neurodevelopmental disorder vision photoreceptor

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Corn Stover-derived nanocellulose and lignin-modified particles: Pickering emulsion stabilizers and potential quercetin sustained-release carriers

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FOOD CHEMISTRY 2025年第Pt 2期465卷 142021页

作者： Wu, Xinling zhang, Qiang Zhou, Deyi zhang, Li Zhou, Haigen Gao, Xiaodi Fang, xuwen Huo, Chao zhang, Jinsong Jilin Univ Coll Biol & Agr Engn Changchun 130022 Peoples R China

Pickering emulsions (PEs) have wide applications in delivering nutraceuticals. However, the impact of extracting nanocellulose from corn stover on stabilizing PEs and delivering nutraceuticals remains unclear. In this study, four types of nanocellulose, cellulose nanocrystals (CNC), cellulose nanofibers (CNF), lignin-containing cellulose nanocrystals (LCNC), and lignin-containing cellulose nanofibers (LCNF) were successfully prepared from corn stover, an agricultural waste. Among them, LCNC and LCNF exhibited stable reticulated microstructures, lower crystallinity, and excellent thermal stability. Besides, lignin enhanced the nanoparticles' hydrophobicity, promoting the formation of more ideally amphiphilic particles, resulting in denser emulsions at the oil-water interface. Furthermore, emulsions stabilized by LCNC and LCNF demonstrated remarkable resistance to quercetin degradation under UV light exposure (with residual level exceeding 90 %) and improved quercetin's bioaccessibility during the in vitro digestion tests, achieving the highest bioaccessibility of 48.3 %. This study provided an innovative perspective on utilizing stover-derived materials for stabilizing PEs and delivering lipophilic nutrients.

关键词： Corn Stover nanocellulose Lignin Pickering emulsion Quercetin delivery In vitro digestion

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