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Semi-empirical estimation for enhancing negative thermal expansion in PbTiO_(3)-based perovskites

International Journal of Minerals,Metallurgy and materials 2022年第4期29卷 783-786页

作者： Tao Yang Longlong Fan Yilin Wang Kun Lin Jun Chen Xianran Xing Beijing Advanced Innovation Center for Materials Genome Engineering Institute of Solid State ChemistryDepartment of Physical ChemistryUniversity of Science and Technology BeijingBeijing 100083China College of Physics and Materials Science Tianjin Normal UniversityTianjin 300387China Institute of Advanced Materials Jiangsu National Synergetic Innovation Center for Advanced MaterialsNanjing Tech UniversityNanjing 211816China

Generally,most materials expand when heated and contract when cooled,whereas negative thermal expansion(NTE)materials are very *** a typical NTE material,PbTiO_(3) and related compounds have drawn particular interest in recent *** discovery of an enhanced NTE system in PbTiO_(3) is beneficial to deepen our understanding of its mechanism and regulate its *** present,the method of discriminating an enhanced NTE material based on PbTiO_(3) is not ***,we propose a semi-empirical method through evaluating the average lattice distortion in related systems to estimate the relative coefficient of thermal expansion *** rationality of the method was verified by the analysis of the 0.6PbTiO_(3)-0.4Bi(Ga_(x)Fe_(1-x))O_(3) *** far,all PbTiO_(3)-based compounds with enhanced NTE conform well to this *** method provides the possibility to find more enhanced NTE PbTiO_(3)-based materials.

关键词： enhanced negative thermal expansion crystal structure lead titanate spontaneous polarization

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ScY@C_(3v)(8)-C_(82):Metal-Metalσ^(2)Bond in Mixed Rare-Earth Di-metallofullerenes

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Chinese Journal of Chemistry 2023年第15期41卷 1809-1814页

作者： Lihao Zheng Yannick Roselló Yingjing Yan Yang-Rong Yao Xiaolin Fan Josep M.Poblet Antonio Rodríguez-Fortea Ning Chen College of Chemistry Chemical Engineering and Materials Scienceand State Key Laboratory of Radiation Medicine and ProtectionSoochow UniversitySuzhouJiangsu 215123China Departament de Quimica Fisica i Inorganica Universitat Rovira i VirgiliMarcelli Domingo 143007 TarragonaSpain Department of Materials Science and Engineering CAS Key Laboratory of Materials for Energy ConversionAnhui Laboratory of Advanced Photon Science and TechnologyUniversity of Science and Technology of ChinaHefeiAnhui 230026China

Comprehensive Summary The experimental investigation of rare-earth metal-metal bonds remains a challenge in the study of chemical ***,we report the synthesis and characterization of a novel heteronuclear di-metallofullerene,ScY@C_(3v)(8)-C_(82),which contains a mixed rare-earth metal-metal ***@C_(3v)(8)-C_(82)was successfully synthesized by arc-discharging method and characterized by mass spectrometry,UV-vis-NIR spectroscopy and single-crystal X-ray diffraction crystallography,which unambiguously determined its molecular *** calculations were also performed to study the optimized positions of Sc-Y metallic dimer and the electronic *** combined experimental and theoretical results confirmed that both Sc and Y atoms transfer two electrons to the C_(3v)(8)-C_(82)cage,i.e.,(ScY)4+@(C_(3v)(8)-C_(82))4-.In particular,a covalent Sc-Yσ2 bond,which has never been reported before,is proven to be formed inside C_(3v)(8)-C_(82)fullerene *** work presents a novel di-metallofullerene containing mixed rare-earth metal-metal bond and expands the understanding of metal-metal bonding of rare earth elements.

关键词： Fullerenes Endohedral fullerenes Rare earths Densityfunctional calculations Metal-metal bond

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New insights into the mechanism of localised corrosion induced by TiN-containing inclusions in high strength low alloy steel

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Journal of materials science & technology 2022年第29期124卷 141-149页

作者： Chao Liu Reynier I.Revilla Xuan Li Zaihao Jiang Shufeng Yang Zhongyu Cui Dawei Zhang Herman Terryn Xiaogang Li Institute of Advanced Materials and Technology University of Science and Technology BeijingBeijing 100083China National Materials Corrosion and Protection Data Center University of Science and Technology BeijingBeijing 100083China Department of Materials and Chemistry Research Group Electrochemical and Surface EngineeringVrije Universiteit BrusselBrusselsBelgium School of Metallurgical and Ecological Engineering University of Science and Technology BeijingBeijing 100083China Department of Material Science and Engineering Ocean University of ChinaQingdao 266100China

This work investigated the chemical and electrochemical mechanisms of localised corrosion triggered by CaS·xMgO·y Al_(2)O_(3)·TiN complex inclusions in high strength low alloy steel(HSLAS)under a simulated marine *** focus was given to the role of the TiN portion of the inclusion on the initiation and growth of the corrosion *** thermodynamic process of pitting initiation was investigated by Gibbs free energy,Pourbaix diagram and first principle *** corrosion is mainly induced by inclusions and triggered by dissolution of adjacent distorted *** dissolution of CaS portion in CaS·xMgO·y Al_(2)O_(3)·TiN complex inclusion creates an acidic aggressive environment that accelerates the further dissolution of inclusion and *** coupling effect between TiN inclusion and matrix is directly *** covered with a TiOfilm acts as the cathodic phase in galvanic corrosion,although it has a lower Volta potential than the *** is an unusual correlation with the scanning Kelvin probe force microscopy result,which has been explained for this special system.

关键词： High strength low alloy steel TiN-containing inclusion Localised corrosion Pourbaix diagram First principle calculation

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Achieving High Efficiency and Stability in Organic Photovoltaics with a Nanometer-Scale Twin p-i-n Structured Active Layer

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ACS Applied materials and Interfaces 2024年第31期16卷 41244-41256页

作者： Chang, Bin Jiang, Bing-Huang Chen, Chih-Ping Chen, Kai Chen, Bo-Han Tan, Shaun Lu, Tzu-Ching Tsao, Cheng-Si Su, Yu-Wei Yang, Shang-Da Chen, Cheng-Sheng Wei, Kung-Hwa Department of Materials Science and Engineering National Yang Ming Chiao Tung University Department of Materials Engineering Ming Chi University of Technology College of Engineering Chang Gung University Robinson Research Institute Victoria University of Wellington MacDiarmid Institute for Advanced Materials and Nanotechnology The Dodd-Walls Centre for Photonic and Quantum Technologies University of Otago Institute of Photonics Technologies National Tsing Hua University Department of Chemistry Massachusetts Institute of Technology Department of Materials Science and Engineering National Taiwan University National Synchrotron Radiation Research Center Department of Molecular Science and Engineering Institute of Organic and Polymeric Materials National Taipei University of Technology

In pursuing high stability and power conversion efficiency for organic photovoltaics (OPVs), a sequential deposition (SD) approach to fabricate active layers with p-i-n structures (where p, i, and n represent the electron donor, mixed donor:acceptor, and electron acceptor regions, respectively, distinctively different from the bulk heterojunction (BHJ) structure) has emerged. Here, we present a novel approach that by incorporating two polymer donors, PBDBT-DTBT and PTQ-2F, and one small-molecule acceptor, BTP-3-EH-4Cl, into the active layer with sequential deposition, we formed a device with nanometer-scale twin p-i-n structured active layer. The twin p-i-n PBDBT-DTBT:PTQ-2F/BTP-3-EH-4Cl device involved first depositing a PBDBT-DTBT:PTQ-2F blend under layer and then a BTP-3-EH-4Cl top layer and exhibited an improved power conversion efficiency (PCE) value of 18.6%, as compared to the 16.4% for the control BHJ PBDBT-DTBT:PTQ-2F:BTP-3-EH-4Cl device or 16.6% for the single p-i-n PBDBT-DTBT/BTP-3-EH-4Cl device. The PCE enhancement resulted mainly from the twin p-i-n active layer’s multiple nanoscale charge carrier pathways that contributed to an improved fill factor and faster photocurrent generation based on transient absorption studies. The PBDBT-DTBT:PTQ-2F/BTP-3-EH-4Cl film possessed a vertical twin p-i-n morphology that was revealed through secondary ion mass spectrometry and synchrotron grazing-incidence small-angle X-ray scattering analyses. The thermal stability (T₈₀) at 85 °C of the twin p-i-n PBDBT-DTBT:PTQ-2F/BTP-3-EH-4Cl device surpassed that of the single p-i-n PBDBT-DTBT/BTP-3-EH-4Cl devices (906 vs 196 h). This approach of providing a twin p-i-n structure in the active layer can lead to substantial enhancements in both the PCE and stability of organic photovoltaics, laying a solid foundation for future commercialization of the organic photovoltaics technology. © 2024 The Authors. Published by American Chemical Society.

关键词： morphology organic photovoltaics sequential deposition thermal stability twin p-i-n structure

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Cu_(2+1)O/CuO_(x)heterostructures promote the electrosynthesis of C^(2+)products from CO_(2)

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Nano Research 2023年第4期16卷 4698-4705页

作者： Rongbo Sun Cong Wei Zixiang Huang Shuwen Niu Xiao Han Cai Chen Haoran Wang Jia Song Jun-Dong Yi Geng Wu Dewei Rao Xusheng Zheng Yuen Wu Gongming Wang Xun Hong Center of Advanced Nanocatalysis(CAN) Department of Applied ChemistryUniversity of Science and Technology of ChinaHefei 230026China School of Materials Science and Engineering Jiangsu UniversityZhenjiang 212013China National Synchrotron Radiation Laboratory(NSRL) University of Science and Technology of ChinaHefei 230026China

Manipulating the oxidation state of Cu catalysts can significantly affect the selectivity and activity of electrocatalytic carbon dioxide reduction(CO_(2)RR).However,the thermodynamically favorable cathodic reduction to metallic states typically leads to catalytic ***,a defect construction strategy is employed to prepare crystalline/amorphous Cu_(2+1)O/CuO_(x)heterostructures(c/a-CuO_(x))with abundant Cu0 and Cuδ+(0<δ<1)sites for CO_(2)*** C^(2+)Faradaic efficiency of the heterostructured Cu catalyst is up to 81.3%,with partial current densities of 406.7 mA·cm−***,real-time monitoring of the Cu oxidation state evolution by in-situ Raman spectroscopy confirms the stability of Cuδ+species under long-term high current density *** functional theory(DFT)calculations further reveal that the adjacent Cu0 and Cuδ+sites in heterostructured c/a-CuO_(x)can efficiently reduce the energy barrier of CO coupling for C^(2+)products.

关键词： CO_(2)electroreduction C-C coupling heterostructures in-situ Raman manipulation of oxidation states

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Multifunctional Structure-Modified Quaternary Compounds Co9Se8-CuSe2-WSe2 Mixed with MWCNT as a Counter Electrode Material for Dye-Sensitized Solar Cells

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ACS Applied materials and Interfaces 2024年第3期16卷 3476-3488页

作者： Liu, Rih-Jia Chang, Ling-Yu Lin, Fang-Sian Lee, Yu-Hsin Yeh, Min-Hsin Ho, Kuo-Chuan Department of Chemical Engineering National Taiwan University Taipei10617 Taiwan Institute of Polymer Science and Engineering National Taiwan University Taipei10617 Taiwan Department of Chemical Engineering National Taiwan University of Science and Technology Taipei10607 Taiwan Advanced Research Center for Green Materials Science and Technology National Taiwan University Taipei10617 Taiwan

In this study, a trimetallic selenide material with a hollow spherical structure (Co9Se8-CuSe2-WSe2) was synthesized through two consecutive solvothermal reactions. The synergistic effect between the quaternary elements, the benefits of the selenization of metals, and the unique morphology led to the prominent electrocatalytic ability of Co9Se8-CuSe2-WSe2 hollow spheres. Co9Se8-CuSe2-WSe2 hollow spheres were then mixed with oxygen plasma-treated multiwalled carbon nanotubes (MWCNT) as counter electrode (CE) material for dye-sensitized solar cells (DSSCs), achieving a photoelectric conversion efficiency (η) of 9.23% under one sun condition (AM 1.5G, 100 mW cm-2), surpassing the 8.08% of devices with platinum counter electrodes (PtCEs). For indoor conditions, a T5 light source was applied to the DSSCs with Co9Se8-CuSe2-WSe2 + MWCNT CE, and the efficiency increased to 14.14% under 3600 lx irradiance. Finally, Co9Se8-CuSe2-WSe2 + MWCNT CE demonstrated good stability with 92.23% retention after 1000 cycles of cyclic voltammetry, exceeding the 82.49% of PtCE. Therefore, Co9Se8-CuSe2-WSe2 + MWCNT shows potential as a substitute for platinum as CE material for DSSCs. © 2024 American Chemical Society

关键词： Dye-sensitized solar cells

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Hierarchical cobalt-molybdenum layered double hydroxide arrays power efficient oxygen evolution reaction

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Nano Research 2024年第6期17卷 5080-5086页

作者： Xinyi Zhu Jiahui Lyu Shanshan Wang Xingchuan Li Xiaoyu Wei Cheng Chen Wanida Kooamornpattana Francis Verpoort Jinsong Wu Zongkui Kou State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China Sanya Science and Education Innovation Park of Wuhan University of Technology Sanya 572000China Nanostructure Research Center Wuhan University of TechnologyWuhan 430070China Department of Chemical Engineering Faculty of EngineeringMahidol UniversityNakhon Pathom 73170Thailand

Transition metal-based layered double hydroxides(LDHs)have been capable of working efficiently as catalysts in the basic oxygen evolution reaction(OER)for sustaining hydrogen production of alkaline water ***,exploring new LDH-based electrocatalysts featuring both remarkable activity and good stability is still in high demand,which is pivotal for comprehensive understanding and impressive improvement of the sluggish OER ***,a series of bimetallic(Co and Mo)LDH arrays were designed and fabricated via a facile and controlled strategy by incorporating a Mo source into presynthesized Co-based metal-organic framework(MOF)arrays on carbon cloth(CC),named as ZIF-67/CC *** found that tuning the Mo content resulted in gradual differences in the structural properties,surface morphology,and chemical states of the resulting catalysts,namely CoMox-LDH/CC(x representing the added weight of the Mo source).Gratifyingly,the best-performing CoMo_(0.20)-LDH/CC electrocatalyst demonstrates a low overpotential of only 226 mV and high stability at a current density of 10 mA·cm^(−2),which is superior to most LDH-based OER catalysts reported ***,it only required 1.611 V voltage to drive the overall water splitting device at the current density of 10 mA·cm^(−2).The present study represents a significant advancement in the development and applications of new OER catalysts.

关键词： layered double hydroxides(LDHs) metal-organic frameworks(MOFs) array catalysts Mo modification electrocatalytic oxygen evolution reaction(OER)

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Full-thickness osteochondral defect repair using a biodegradable bilayered scaffold of porous zinc and chondroitin sulfate hydrogel

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Bioactive materials 2024年第2期32卷 400-414页

作者： Fan Yang Yageng Li Lei Wang Haodong Che Xin Zhang Holger Jahr Luning Wang Dong Jiang Hongjie Huang Jianquan Wang Department of Sports Medicine Peking University Third HospitalInstitute of Sports Medicine of Peking UniversityBeijing Key Laboratory of Sports InjuriesEngineering Research Center of Sports Trauma Treatment Technology and DevicesMinistry of EducationBeijingChina Beijing Advanced Innovation Center for Materials Genome Engineering State Key Laboratory for Advanced Metals and MaterialsSchool of Materials Science and EngineeringUniversity of Science and Technology BeijingBeijingChina Institute of Anatomy and Cell Biology University Hospital RWTH AachenAachen52074Germany Institute of Structural Mechanics and Lightweight Design RWTH Aachen University52062AachenGermany

The regeneration of osteochondral tissue necessitates the re-establishment of a gradient owing to the unique characteristics and healing potential of the chondral and osseous *** the self-healing capacity of hyaline cartilage is limited,timely mechanical support during neo-cartilage formation is crucial to achieving optimal repair *** this study,we devised a biodegradable bilayered scaffold,comprising chondroitin sulfate(CS)hydrogel to regenerate chondral tissue and a porous pure zinc(Zn)scaffold for regeneration of the underlying bone as mechanical support for the cartilage *** photocured CS hydrogel possessed a compressive strength of 82 kPa,while the porous pure Zn scaffold exhibited a yield strength of 11 MPa and a stiffness of 0.8 *** mechanical properties are similar to values reported for cancellous *** vitro biological experiments demonstrated that the bilayered scaffold displayed favorable cytocompatibility and promoted chondrogenic and osteogenic differentiation of bone marrow stem *** implantation,the scaffold facilitated the simultaneous regeneration of bone and cartilage tissue in a porcine model,resulting in(i)a smoother cartilage surface,(ii)more hyaline-like cartilage,and(iii)a superior integration into the adjacent host *** bilayered scaffold exhibits significant potential for clinical application in osteochondral regeneration.

关键词： Chondroitin sulfate hydrogel Additive manufacturing Porous Zn scaffold Osteochondral regeneration

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The Active Sites and Corresponding Stability Challenges of the M-N-C Catalysts for Proton Exchange Membrane Fuel Cell

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Chinese Journal of Chemistry 2023年第6期41卷 710-724页

作者： Ruolin Peng Zhongkun Zhao Hongmin Sun Yongping Yang Tinglu Song Yao Yang Jiankun Shao Haibo Jin Hongtao Sun Zipeng Zhao Beijing Key Laboratory of Construction Tailorable Advanced Functional Materials and Green Applications Experimental Center of Advanced MaterialsSchool of Materials Science and EngineeringBeijing Institute of TechnologyBeijing100081China The Harold and Inge Marcus Department of Industrial and Manufacturing Engineering The Pennsylvania State UniversityUniversity ParkPA16802-4400USA School of Engineering Westlake UniversityHangzhouZhejiang 310030China State Key Laboratory of Explosion Science and Technology Bejing Institute of TechnologyBeijing 100081China The Materials Research institute The Pennsylvania State UniversityUniversityParkPA16802-4400UA

Proton exchange membrane fuel cells(PEMFCs)as promising alternatives to traditional internal combustion engines have attracted massive concerns to promote their wide application in ***,the biggest challenge to the commercialization of PEMFCs remains the high cost due to the adoption of the platinum group metal(PGM)catalysts in the cathode.

关键词： Proton exchange membrane fuel cell Electrocatalysis Oxygen reduction reaction M-N-C catalysts Active sites Stability Degradation mechanisms

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High-throughput compositional mapping of triple-cation tin-lead perovskites for high-efficiency solar cells

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InfoMat 2023年第4期5卷 25-38页

作者： Rajendra Kumar Gunasekaran Jina Jung Sung Woong Yang Jungchul Yun Yeonghun Yun Devthade Vidyasagar Won Chang Choi Chang-Lyoul Lee Jun Hong Noh Dong Hoe Kim Sangwook Lee School of Materials Science and Engineering Kyungpook National UniversityDaeguRepublic of Korea Advanced Photonics Research Institute(APRI) Gwangju Institute of Science and Technology(GIST)GwangjuRepublic of Korea School of Civil Environmental and Architectural EngineeringGreen SchoolKorea UniversitySeoulRepublic of Korea Department of Materials Science and Engineering Korea UniversitySeoulRepublic of Korea

Mixed tin-ead perovskites suffer from structural instability and rapid tin oxidation;thus,the investigation of their optimal composition ranges is important to address these inherent *** critical role of triple cations in mixed Sn–Pb iodides is studied by performing a wide range of compositional screenings over mechanochemically synthesized bulk and solution-processed thin films.A ternary phase map of FA(Sn_(0.6)Pb_(0.4))I_(3),MA(Sn_(0.6)Pb_(0.4))I_(3),and Cs(Sn_(0.6)Pb_(0.4))I_(3)is formed,and a promising composition window of(FA_(0.6-x)MA_(0.4)Cs_(x))Sn_(0.6)Pb_(0.4)I_(3)(0≤x≤0.1)is demonstrated through phase,photoluminescence,and stability *** cell performance and chemical stability across the targeted compositional space are investigated,and FA_(0.55)MA_(0.4)Cs_(0.05)Sn_(0.6)Pb_(0.4)I_(3)with strain-relaxed lattices,reduced defect densities,and improved oxidation stability is *** inverted perovskite solar cells with the optimal composition demonstrate a power conversion efficiency of over 22%with an open-circuit voltage of 0.867 V,which corresponds to voltage loss of 0.363 V,promising for the development of narrow-bandgap perovskite solar cells.

关键词： compositional engineering mixed tin-ead iodides narrow-bandgap perovskites perovskite solar cells strain relaxation ternary phase mapping

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