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Methylthio side-chain modified quinoidal benzo-[1,2-b:4,5-b']dithiophene derivatives for high-performance ambipolar organic field-effect transistors

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science China Chemistry 2024年第10期67卷 3357-3365页

作者： Li Chen Xiaoqi Luo Nuoya Li Shaoqian Peng Qing Jiang Di Wu Jianlong Xia State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Center of Smart Materials and DevicesWuhan University of TechnologyWuhan 430070China School of Chemistry Chemical Engineering and Life ScienceWuhan University of TechnologyWuhan 430070China Department of Chemistry National University of SingaporeSingapore 117543Singapore

Quinoidal small molecule semiconductors hold huge potential in ambipolar organic field-effect transistors(OFETs)and organic spintronic ***,two quinoidal molecules with methylthio side chains were synthesized to develop molecular semiconductors with high ambipolar mobility,designated QBDTS and *** theoretical calculation results reveal that QBDTS has a closed-shell structure while QTBDTS showed an open-shell structure with a biradical character(y0)of 0.46 and its magnetic properties were further investigated using electron paramagnetic resonance(EPR)and superconducting quantum interference device(SQUID)*** methyl side chains showed a large impact on the molecular orbital *** HOMO/LUMO levels of QBDTS and QTBDTS were measured to be-5.66/-4.56 and-5.27/-4.48 eV,respectively,which are favorable for ambipolar charge transport in ***,the spin-coated QBDTS displayed hole and electron mobilities of 0.01 and 0.5 cm^(2)V^(-1)s^(-1)while QTBDTS showed a record high hole mobility of 1.8 cm^(2)V^(-1)s^(-1)and electron mobility of 0.3 cm^(2)V^(-1)s^(-1).Moreover,comparative studies of the thin film morphologies also manifested the beneficial influence of methyl side chains on film crystallinity and molecule *** results strongly proved that methyl side chain engineering can be a simple but efficient strategy for modulating electronic properties and molecular stacking *** work also represents a big advancement for quinoidal molecular semiconductors in ambipolar OFET applications.

关键词： side-chain modification quinoidal molecules ambipolar diradicals organic field-effect transistors

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Local probing of the non-uniform distribution of ferrielectric and antiferroelectric phases

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Nano Research 2023年第2期16卷 3021-3027页

作者： Huimin Qiao Fangping Zhuo Zhen Liu Jinxing Wang Jeongdae Seo Chenxi Wang Jinho Kang Bin Yang Yunseok Kim School of Advanced Materials and Engineering Sungkyunkwan University(SKKU)Suwon 16419Republic of Korea Research Center for Advanced Materials Technology Sungkyunkwan University(SKKU)Suwon 16419Republic of Korea Department of Materials and Earth Sciences Technical University of DarmstadtDarmstadt 64287Germany Department of Physics College of ScienceNortheast Forestry UniversityHarbin 150040China Department of Physics Korea Advanced Institute of Science and Technology(KAIST)Daejeon 34141Republic of Korea School of Instrumentation Science and Engineering Harbin Institute of TechnologyHarbin 150080China

Piezoresponse force microscopy(PFM)is an indispensable tool in the investigation of local electromechanical responses and polarization *** acquired data provide spatial information on the local disparity of polarization switching and electromechanical responses,making this technique advantageous over macroscopic *** its widespread application in ferroelectrics,it has rarely been used to investigate the ferrielectric(FiE)behaviors in antiferroelectric(AFE)***,the PFM was utilized to study the local electromechanical behavior and distribution of FiE,and the AFE phases of PbZrO_(3)thin-film were studied,where only the FiE behavior is observable using a macroscopic *** FiE region resembles a ferroelectric material at low voltages but exhibits a unique on-field amplitude response at high *** contrast,the AFE region only yields an observable response at high ***-field simulations reveal the coexistence of AFE and FiE states as well as the phase-transition processes that underpin our experimental *** work illustrates the usefulness of PFM as an analytical tool to characterize AFE/FiE materials and their phase-coexistence behavior,thereby providing insights to guide property modification and potential applications.

关键词： scanning probe microscopy ferrielectrics antiferroelectrics local electromechanical response

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Unassisted overall water splitting with a solar-to-hydrogen efficiency of over 10% by coupled lead halide perovskite photoelectrodes

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Carbon Energy 2023年第1期5卷 134-143页

作者： Ryan Rhee Tae G.Kim Gyu Y.Jang Gwangmin Bae Jung H.Lee Sunje Lee Sungsoon Kim Seokwoo Jeon Jong H.Park Department of Chemical and Biomolecular Engineering Yonsei UniversitySeoulRepublic of Korea Department of Materials Science and Engineering KAIST Institute for The Nanocentury(KINC)Korea Advanced Institute of Science and Technology(KAIST)DaejeonRepublic of Korea

Hydrogen is a promising future sustainable fuel candidate with boundless *** into photoelectrochemical(PEC)water splitting based on a lead halide perovskite(LHP)has progressed significantly with the aim of more efficient solar hydrogen ***,we unite a well-known photo-absorbing LHP with cost-effective water-splitting catalysts,and we introduce two types of monolithic LHP-based PEC devices that act as a photocathode and a photoanode for the hydrogen evolution reaction and oxygen evolution reaction,leading to efficient unbiased overall water *** the integration of these two monolithic LHP-based photoelectrodes,an unbiased solar-to-hydrogen conversion efficiency of 10.64%and a photocurrent density of 8.65 mA cm^(−2) are achieved.

关键词： perovskite photoelectrochemical cell photoelectrode unassisted

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An integrated machine learning model for accurate and robust prediction of superconducting critical temperature

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Journal of Energy Chemistry 2023年第3期78卷 232-239,I0007页

作者： Jingzi Zhang Ke Zhang Shaomeng Xu Yi Li Chengquan Zhong Mengkun Zhao Hua-Jun Qiu Mingyang Qin X.-D.Xiang Kailong Hu Xi Lin School of Materials Science and Engineering Harbin Institute of TechnologyShenzhen 518055GuangdongChina Blockchain Development and Research Institute Harbin Institute of TechnologyShenzhen 518055GuangdongChina State Key Laboratory of Advanced Welding and Joining Harbin Institute of TechnologyHarbin 150001HeilongjiangChina School of Materials Science and Engineering Harbin Institute of TechnologyHarbin 150001HeilongjiangChina Department of Materials Science and Engineering&Department of Physics Southern University of Science and TechnologyShenzhen 518055GuangdongChina

Discovering new superconductors via traditional trial-and-error experimental approaches is apparently a time-consuming process,and the correlations between the critical temperature(Tc) and material features are still *** rise of machine learning(ML) technology provides new opportunities to speed up inefficient exploration processes,and could potentially uncover new hints on the unclear *** this work,we utilize open-source materials data,ML models,and data mining methods to explore the correlation between the chemical features and Tcvalues of superconducting *** further improve the prediction accuracy,a new model is created by integrating three basic algorithms,showing an enhanced accuracy with the coefficient of determination(R2) score of 95.9 % and root mean square error(RMSE) of 6.3 *** average marginal contributions of material features towards Tcvalues are estimated to determine the importance of various features during prediction *** results suggest that the range thermal conductivity plays a critical role in Tcprediction among all element ***,the integrated ML model is utilized to screen out potential twenty superconducting materials with Tcvalues beyond 50.0 *** study provides insights towards Tcprediction to accelerate the exploration of potential high-Tcsuperconductors.

关键词： Superconductors Integrated machine learning Superconducting critical temperature

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Catalytically active atomically thin cuprate with periodic Cu single sites

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National science Review 2023年第1期10卷 226-235页

作者： Huimin Yang Shibo Xi Na Guo Mu Wang Lingmei Liu Pin Lyu Xiaolong Yu Jing Li Haomin Xu Xiao Hai Zejun Li Xinzhe Li Tao Sun Xiaoxu Zhao Yu Han Wei Yu Jie Wu Chun Zhang Honghan Fei Ming Joo Koh Jiong Lu Department of Chemistry National University of Singapore Institute of Chemical and Engineering Sciences Department of Physics National University of Singapore Advanced Membranes and Porous Materials Center King Abdullah University of Science and Technology SDU-ANU Joint Science College Shandong University School of Materials Science and Engineering Peking University Centre for Advanced 2D Materials and Graphene Research Centre National University of Singapore Department of Chemistry Tongji University

Rational design and synthesis of catalytically active two-dimensional（2D） materials with an abundance of atomically precise active sites in their basal planes remains a great ***,we report a ligand exchange strategy to exfoliate bulk [Cu4（OH）6] [O3S（CH2）4SO3] cuprate crystals into atomically thin 2D cuprate layers([Cu2（OH）3]+).The basal plane of 2D cuprate layers contains periodic arrays of accessible unsaturated Cu（Ⅱ） single sites（2D-CuSSs）,which are found to promote efficient oxidative Chan-Lam *** me chanistic studies reveal that the reactions proceed via coordinatively unsaturated CuO4（Ⅰ） single sites with the formation of Cu（Ⅰ） species in the rate-limiting step,as corroborated by both operando experimental and theoretical *** robust stability of 2D-CuSSs in both batch and continuous flow reactions,coupled with their recyclability and good performance in complex molecule derivatization,render 2D-CuSSs attractive catalyst candidates for broad utility in fine chemical synthesis.

关键词： exfoliation nanosheet heterogeneous catalysis

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Periostin^(+) myeloid cells improved long bone regeneration in a mechanosensitive manner

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Bone Research 2024年第4期12卷 895-911页

作者： Ziyan Wang Minmin Lin Yonghao Pan Yang Liu Chengyu Yang Jianqun Wu Yan Wang Bingtong Yan Jingjing Zhou Rouxi Chen Chao Liu Department of Biomedical Engineering Southern University of Science and TechnologyShenzhenGuangdong 518055China Department of Materials Science and Engineering Southern University of Science and TechnologyShenzhenGuangdong 518055China Guangdong Provincial Key Laboratory of Advanced Biomaterials Southern University of Science and TechnologyShenzhenGuangdong 518055China

Myeloid cells are pivotal in the inflammatory and remodeling phases of fracture ***,we investigate the effect of periostin expressed by myeloid cells on bone regeneration in a monocortical tibial defect(MTD)*** this study,we show that periostin is expressed by periosteal myeloid cells,primarily the M2 macrophages during bone *** of periostin in myeloid cells reduces cortical bone thickness,disrupts trabecular bone connectivity,impairs repair impairment,and hinders M2 macrophage *** stimulation is a regulator of periostin in *** activating transforming growth factor-β(TGF-β),it increases periostin expression in macrophages and induces M2 *** mechanosensitive effect also reverses the delayed bone repair induced by periostin deficiency in myeloid cells by strengthening the angiogenesis-osteogenesis *** addition,transplantation of mechanically conditioned macrophages into the periosteum over a bone defect results in substantially enhanced repair,confirming the critical role of macrophage-secreted periostin in bone *** summary,our findings suggest that mechanical stimulation regulates periostin expression and promotes M2 macrophage polarization,highlighting the potential of mechanically conditioned macrophages as a therapeutic strategy for enhancing bone repair.

关键词： myeloid stimulation mec

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Finite element analysis using elasto-visco-plastic self-consistent polycrystal model for E-form Mg sheet subjected to bending

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Journal of Magnesium and Alloys 2023年第4期11卷 1393-1407页

作者： Bohye Jeon Min-Seong Kim Shi-Hoon Choi Youngung Jeong Department of Materials Convergence and System Engineering Changwon National UniversityChangwon-siGyeongnamRepublic of Korea Center for Energy Materials Research Korea Institute of Science and TechnologySeoulRepublic of Korea Department of Advanced Components and Materials Engineering Sunchon National UniversitySuncheon-siJeollanam-doRepublic of Korea School of Materials Science and Engineering Changwon National UniversityChangwon-siGyeongnamRepublic of Korea

The mechanical behavior of a magnesium alloy E-form under bending was investigated using the elasto-visco-plastic polycrystal model(ΔEVPSC) and its finite element(FE) implementation(ΔEVPSC-FE) developed in Jeong et al. and Jeong and Tomé. The crystallographic orientation distribution(COD) obtained from X-ray diffraction was used to represent the initial texture, and the Voce hardening parameters were calibrated by fitting the uniaxial tension and the compression flow stress curves. A quasi-static FE analysis of a miniaturized V-bending operation was conducted using the ΔEVPSC-FE model. The bending induced an inhomogeneous stress response along the through-thickness and the lateral directions, which was well captured by the model. Moreover, the predictive capability of the model was validated by comparing with various experimental results such as(1) force vs. displacement curves;(2) the through-thickness variations in the twin volume fraction;and(3) the changes in crystallographic texture as a function of displacement. Additional bending simulation was performed using an isotropic texture, the result of which suggests that the potential improvement in bendability of the magnesium alloy is attainable by weakening the initial texture. Moreover, the simulation results imply that the crystallographic texture, which may affect the twin activation across the thickness direction, plays a significant role in the shifting direction of the neutral layer.

关键词： FEM Texture V-bending Polycrystal Magnesium Elasto-visco-plasticity

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PY-IT,an Excellent Polymer Acceptor

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Chinese Journal of Chemistry 2023年第24期41卷 3714-3728页

作者： Qingqing Bai Qiming Liang Qian Liu Bin Liu Xugang Guo Li Niu Huiliang Sun Center for Advanced Analytical Science Guangzhou Key Laboratory of Sensing Materials and DevicesGuangdong Engineering Technology Research Center for Photoelectric Sensing Materials and DevicesSchool of Chemistry and Chemical EngineeringGuangzhou UniversityGuangzhouGuangdong510006 China Department of Materials Science and Engineering Southern University of Science and Technology (SUSTech)ShenzhenGuangdong518055 China

All-polymer solar cells(all-PSCs)have attracted considerable attention due to their inherent advantages over other types of organic solar cells,including superior optical and thermal stability,as well as exceptional mechanical ***,all-PSCs have experienced remarkable advancements in device performance thanks to the invention of polymerized small-molecule acceptors(PSMAs)since *** these PSMAs,PY-IT has garnered immense interest from the scientific community due to its exceptional performance in *** this review,we presented the design principles of PY-IT and discussed the various strategies employed in device engineering for PY-IT-based *** strategies include additive and interface engineering,layer-by-layer processing methods,meniscus-assisted coating methods,and ternary ***,this review highlighted several novel polymeric donor materials that are paired with PY-IT to achieve efficient ***,we summarized the inspiring strategies for further advancing all-PSCs based on *** strategies aim to enhance the overall performance and stability of all-PSCs by exploring new materials,optimizing device architectures,and improving fabrication *** leveraging these approaches,we anticipate significant progress in the development of all-PSCs and their potential as a viable renewable energy source.

关键词： PY-IT Polymer acceptors Device engineering Organic solar cells Synthesis design

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Synthesis of an all-carbon conjugated polymeric segment of carbon nanotubes and its application for lithium-ion batteries

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Nano Research 2023年第7期16卷 10342-10347页

作者： Shengda Wang Fei Chen Guilin Zhuang Kang Wei Tianyun Chen Xinyu Zhang Chunhua Chen Pingwu Du Hefei National Research Center for Physical Sciences at the Microscale Anhui Laboratory of Advanced Photon Science and TechnologyCAS Key Laboratory of Materials for Energy ConversionDepartment of Materials Science and EngineeringiChEMUniversity of Science and Technology of ChinaHefei 230026China College of Chemical Engineering Zhejiang University of TechnologyHangzhou 310032China

The synthesis and potential applications of nanocarbon materials have attracted much attention in recent ***,we report the design and synthesis of a novel all-carbon conjugated polymeric segment of single-walled carbon nanotubes(poly(cyclo-para-phenylene)(PCPP))and its first application as an anode material for lithium-ion *** as-synthesized PCPP was characterized by Raman spectroscopy,Fourier transform infrared(FTIR),and other *** electrochemical characterization results show the suitability of PCPP as an anode material for lithium-ion *** calculations indicate the unique structural and physical properties of *** realization of PCPP expands the scope of bottom-up synthesis of uniform carbon nanotube segments and their potential applications as new materials for lithium-ion batteries.

关键词： carbon nanomaterials conjugated polymer carbon nanotubes lithium-ion batteries

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Unlocking Novel Functionality:Pseudocapacitive Sensing in MXene-Based Flexible Supercapacitors

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Nano-Micro Letters 2025年第4期17卷 212-229页

作者： Eunji Kim Seongbeen Kim Hyeong Min Jin Gyungtae Kim Hwi-Heon Ha Yunhui Choi Kyoungha Min Su-Ho Cho Hee Han Chi Won Ahn Jaewoo Roh Il-Kwon Oh Jinwoo Lee Yonghee Lee Department of Chemical and Biomolecular Engineering Korea Advanced Institute of Science and Technology(KAIST)291 Daehak-RoYuseong-GuDaejeon 34141Republic of Korea National Nano Fab Center(NNFC) 291 Daehak-RoYuseong-GuDaejeon 34141Republic of Korea Department of Organic Materials Engineering Chungnam National University99 Daehak-RoYuseong-GuDaejeon 34134Republic of Korea Department of Materials Science and Engineering Chungnam National University99 Daehak-RoYuseong-GuDaejeon 34134Republic of Korea Department of Nano&Advanced Materials Science and Engineering Kyungpook National University2559Gyeongsang-DaeroSangju-SiGyeongsangbuk-Do 37224Republic of Korea Department of Mechanical Engineering Korea Advanced Institute of Science and Technology(KAIST)291 Daehak-RoYuseong-GuDaejeon 34141Republic of Korea

Extensively explored for their distinctive pseudocapacitance characteristics,MXenes,a distinguished group of 2D materials,have led to remarkable achievements,particularly in the realm of energy storage *** work presents an innovative Pseudocapacitive *** key lies in switching the energy storage kinetics from pseudocapacitor to electrical double layer capacitor by employing the change of local pH(-log[H^(+)])in MXene-based flexible supercapacitors during *** sensing is observed in acidic electrolyte but absent in neutral *** shearing during bending causes liquid-crystalline MXene sheets to increase in their degree of anisotropic *** blocking of H+mobility due to the higher diffusion barrier,local pH *** electrochemical energy storage kinetics transits from Faradaic chemical protonation(intercalation)to non-Faradaic physical *** utilize the phenomenon of capacitance change due to shifting energy storage kinetics for strain sensing *** developed highly sensitive Pseudocapacitive Sensors feature a remarkable gauge factor(GF)of approximately 1200,far surpassing conventional strain sensors(GF:~1 for dielectric-cap sensor).The introduction of the Pseudocapacitive Sensor represents a paradigm shift,expanding the application of pseudocapacitance from being solely confined to energy devices to the realm of multifunctional *** technological leap enriches our understanding of the pseudocapacitance mechanism of MXenes,and will drive innovation in cutting-edge technology areas,including advanced robotics,implantable biomedical devices,and health monitoring systems.

关键词： MXenes Supercapacitors Pseudocapacitive sensing Local pH Operando measurements

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