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A Triphenylamine-Functionalized Co-Assembly Material for Record Efficiency Inverted CsPbI3Perovskite Solar Cells

Angewandte Chemie 2025年

作者： Dongfang Xu Huaiman Cao Zihao Fan Baihui Wang Yongzhe Li Rui Sun Yong Li Jieke Tan Hongjie Lei Prof. Yuwei Duan Prof. Hongtao Bian Prof. Ze Yu Prof. Zhike Liu Key Laboratory of Applied Surface and Colloid Chemistry Ministry of Education Shaanxi Key Laboratory for Advanced Energy Devices Shaanxi Engineering Lab for Advanced Energy Technology School of Materials Science and Engineering Shaanxi Normal University Xi'an 710119 China State Key Laboratory of Fine Chemicals Frontier Science Center for Smart Materials Dalian University of Technology (DUT) Dalian 116024 China College of Materials and Chemistry & Chemical Engineering Chengdu University of Technology Chengdu 610059 China

The precise regulation of self-assembled monolayer (SAM) distribution and interfacial modification is pivotal for advancing the performance of p-i-n inverted perovskite solar cells (PSCs). Here, a new co-assembly material, 4-(aminomethyl)- N , N -diphenylaniline iodide (TPAI), is developed to make SAM orderly assembled. Density functional theory (DFT) calculation and sum frequency generation (SFG) spectroscopy reveal that TPAI binds with SAM via π-π interactions, effectively suppressing SAM aggregation and enhancing the orderliness of self-assembly. Further characterization by Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS) demonstrates that ─NH 3 group in TPAI coordinates with undercoordinated Pb 2+ to passivate defects of cesium lead triiodide (CsPbI 3 ) film. The TPAI modification creates a defect-minimized buried interface with optimized energy alignment, significantly improving hole extraction and transport kinetics. Consequently, the TPAI-treated CsPbI 3 PSCs achieve a high power conversion efficiency (PCE) of 21.60%, the highest reported value for inverted CsPbI 3 PSCs, maintaining 96.71% initial PCE after tracking at maximum power point (MPP) for 1400 h. This work provides a molecular-level strategy for interfacial engineering, advancing the development of efficient and durable perovskite photovoltaics.

关键词： CsPbI3 Co-assembly material Inverted perovskite solar cells Self-assembled molecules Triphenylamine

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First-principles calculations of 5d atoms doped hexagonal-AlN sheets: Geometry, magnetic property and the influence of symmetry and symmetry-breaking on the electronic structure

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Chinese Physics B 2014年第1期23卷 324-329页

作者：汤富领刘冉薛红涛路文江冯煜东芮执元黄敏 State Key Laboratory of Gansu Advanced Non-ferrous Metal Materials Department of Materials Science and EngineeringLanzhou University of Technology Science and Technology on Surface Engineering Laboratory Lanzhou Institute of Physics State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics Wuhan Institute of Physics and Mathematics Chinese Academy of Sciences

The geometry, electronic structure and magnetic property of the hexagonal AlN(h-AlN) sheet doped by 5d atoms(Lu, Hf, Ta, W, Re, Os, Ir, Pt, Au and Hg) are investigated by first-principles calculations based on the density functional theory. The influence of symmetry and symmetry-breaking is also studied. There are two types of local symmetries of the doped systems: C3v and D3h. The symmetry will deviate from exact C3v and D3h for some particular dopants after optimization. The total magnetic moments of the doped systems are 0μBfor Lu, Ta and Ir; 1μB for Hf, W, Pt and Hg; 2μB for Re and Au; and 3μB for Os and Al-vacancy. The total densities of state are presented, where impurity energy levels exist. The impurity energy levels and total magnetic moments can be explained by the splitting of 5d orbitals or molecular orbitals under different symmetries.

关键词： hexagonal-AlN sheet first-principles calculations 5d atoms symmetry and symmetry-breaking

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A review of CoSb_(3)-based skutterudite thermoelectric materials

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Journal of advanced Ceramics 2020年第6期9卷 647-673页

作者： Zhi-Yuan LIU Jiang-Long ZHU Xin TONG Shuo NIU Wen-Yu ZHAO School of Materials Science and Engineering Anhui University of TechnologyMaanshan 243002China Key Laboratory of Green Fabrication and Surface Technology of Advanced Metal Materials Ministry of EducationAnhui University of TechnologyMaanshan 243002China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China

The binary skutterudite CoSb_(3) is a narrow bandgap semiconductor thermoelectric(TE)material with a relatively flat band structure and excellent electrical ***,thermal conductivity is very high because of the covalent bond between Co and Sb,resulting in a very low ZT ***,researchers have been trying to reduce its thermal conductivity by the different optimization *** addition,the synergistic optimization of the electrical and thermal transport parameters is also a key to improve the ZT value of CoSb_(3) material because the electrical and thermal transport parameters of TE materials are closely related to each other by the band structure and scattering *** review summarizes the main research progress in recent years to reduce the thermal conductivity of CoSb_(3)-based materials at atomic-molecular scale and nano-mesoscopic *** also provide a simple summary of achievements made in recent studies on the non-equilibrium preparation technologies of CoSb_(3)-based materials and synergistic optimization of the electrical and thermal transport *** addition,the research progress of CoSb_(3)-based TE devices in recent years is also briefly discussed.

关键词： skutterudite CoSb_(3)-based materials lattice thermal conductivity synergistic optimization thermoelectric properties thermoelectric devices

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Filling Ti_(3)C_(2)T_(x)nanosheets into melamine foam towards a highly compressible all-in-one supercapacitor

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Nano Research 2022年第4期15卷 3254-3263页

作者： Rui Guo Xiying Han Peng Yuan Xuexia He Qi Li Jie Sun Liqin Dang Zonghuai Liu Yating Zhang Zhibin Lei Key Laboratory of Applied Surface and Colloid Chemistry Ministry of EducationShaanxi Engineering Lab for Advanced Energy TechnologyShaanxi Key Laboratory for Advanced Energy DevicesSchool of Materials Science and EngineeringShaanxi Normal UniversityXi'an 710119China College of Chemistry and Chemical Engineering Key Laboratory of Coal Resources Exploration and Comprehensive UtilizationMinistry of Natural ResourcesXi’an University of Science and TechnologyXi’an 710054China

The development of compressible supercapacitors strongly relies on the design of electrode materials combining superior compressibility,high conductivity with the stable electrochemical cycling *** this work,we report a facile yet scalable strategy to construct a highly compressible supercapacitor by integrating the current collector,active materials and the separator into one *** use the highly compressive melamine foam(MF)as scaffold and the Ti_(3)C_(2)T_(x)nanosheets as the active *** the few-layer Ti_(3)C_(2)T_(x)nanosheets into the skeleton of MF by capillary force followed by freeze-drying yields the MF/Ti_(3)C_(2)T_(x)composite with superior structural integrity that can be compressed at a large strain of 50%for 100 *** electrochemical performances of the all-in-one supercapacitor were systematically investigated under diverse compression *** improved conductivity and reduced ion diffusion length allow the all-in-one supercapacitor to exhibit fast ion and electron kinetics even at high strain of 60%,delivering a maximal volumetric specific energy of 0.37 mWh∙cm^(-3)at power density of 0.42 mW∙cm^(-3)and extraordinary cycling performance during the 2,500 compression cycles.

关键词： all-in-one supercapacitor Ti_(3)C_(2)T_(x)MXene melamine foam high compressibility fast ion and electron kinetics

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Multi-interface Modification Induced Crack Deflection Behavior and Enhanced Fracture Resistance in Thermal Barrier Coatings

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Journal of Alloys and Compounds 2025年

作者： Qicheng Li Xiufang Cui Yongzhi Jing Wei Xu Yi Wang Zhuo Chen Zhijia Zhang Yongchao Fang Tong Shang Guo Jin Institute of Surface/Interface Science and Technology Key Laboratory of Superlight Material and Surface Technology of Ministry of Education College of Material Science and Chemical Engineering Harbin Engineering University Harbin 150001 China Northwest Institute for Nonferrous Metal Research Xi an 710016 China The Military Industry Program Evaluation Center of Costind of SASTIND Beijing 100048 China No.703 Research Institute China State Shipbuilding Co. Ltd. Harbin 150078 China Aviation Key Laboratory of Science and Technology on Advanced Corrosion and Protection for Aviation Material Beijing Beijing Institute of Aeronautical Materials Beijing 100095 China

Conventional thermal barrier coatings (TBCs) composed of yttria-stabilized zirconia (YSZ) ceramic top layers and MCrAlY (M = Ni, Co, or their combination) alloy bond coats are prone to brittle fracture and interfacial delamination under extreme thermo-mechanical-chemical coupled *** study develops a composite-toughened thermal barrier coating (TBC) system integrating three innovations: laser-modified SiC whisker-reinforced YSZ-W L ceramic layers, a novel NiCoCrFeAl 0.8 Si 0.1 (NbMoTaW) 0.1 high-entropy alloy bond coat, and hoop-patterned laser-textured interfaces. Compared to conventional TBC1 (NiCoCrAlY/YSZ), the optimized TBC3 demonstrates 64.3% higher interfacial strength, survives 150 thermal shock cycles at 1100°C (20% spallation area), and shows 61.43% lower erosion mass loss post-thermal cycling. The YSZ-WL layer reduces cyclic molten salt corrosion mass loss by 22.58% versus *** advancements highlight the synergistic effects of whisker toughening (crack deflection/bridging), high-entropy alloy bond coats (suppressed TGO growth), and hoop-textured interfaces (guided crack propagation), establishing a groundbreaking strategy for extreme-environment TBC applications.

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Bifunctional PdPt bimetallenes for formate oxidation-boosted water electrolysis

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Carbon Energy 2023年第12期5卷 175-186页

作者： Xi-Lai Liu Yu-Chuan Jiang Jiang-Tao Huang Wei Zhong Bin He Pu-Jun Jin Yu Chen Key Laboratory of Macromolecular Science of Shaanxi Province Key Laboratory of Applied Surface and Colloid Chemistry(Ministry of Education)Shaanxi Key Laboratory for Advanced Energy DevicesShaanxi Engineering Lab for Advanced Energy TechnologySchool of Materials Science and EngineeringShaanxi Normal UniversityXi'anShaanxiPR China College of New Materials and New Energies Shenzhen Technology UniversityShenzhenGuangdongPR China

Small-molecule electrooxidation-boosted water electrolysis(WE)is an energy-saving method for hydrogen(H2)***,PdPt bimetallenes(PdPt BMLs)are obtained through the simple galvanic replacement *** BMLs reveal 2.93-fold enhancement in intrinsic electroactivity and 4.53-fold enhancement in mass electroactivity for the formate oxidation reaction(FOR)with respect to Pd metallenes(Pd MLs)at 0.50 V potential due to the synergistic ***,the introduction of Pt atoms also considerably increases the electroactivity of PdPt BMLs for hydrogen evolution reaction(HER)with respect to Pd MLs in an alkaline medium,which even exceeds that with the use of commercial Pt *** by the outstanding FOR and HER electroactivity of bifunctional PdPt BMLs,a two-electrode FOR-boosted WE system(FOR-WE)is constructed by using PdPt BMLs as the cathode and the *** FOR-WE system only requires an operational voltage of 0.31 V to achieve H2 production,which is 1.48 V lower than that(ca.1.79 V)with the use of the traditional WE system.

关键词： electrocatalyst formate oxidation reaction hydrogen evolution reaction metallene water electrolysis

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Heterostructured Pd/PdO nanowires for selective and efficient CO_(2) electroreduction to CO

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Journal of Energy Chemistry 2022年第7期31卷 407-413,I0011页

作者： Tian-Jiao Wang Wen-Sheng Fang Yi-Ming Liu Fu-Min Li Pei Chen Yu Chen Key Laboratory of Macromolecular Science of Shaanxi Province Key Laboratory of Applied Surface and Colloid Chemistry(Ministry of Education)Shaanxi Key Laboratory for Advanced Energy DevicesSchool of Materials Science and EngineeringShaanxi Normal UniversityXi’an 710062ShaanxiChina School of Chemistry and Chemical Engineering Huazhong University of Science and TechnologyWuhan 430074HubeiChina

Palladium(Pd) nanostructures are highly promising electrocatalysts for the carbon dioxide electrochemical reduction(CO_(2) ER). At present, it is still challenge for the synthesis of Pd nanostructures with high activity, selectivity and stability. In this work, a facile PdII-complex pyrolysis method is applied to synthesize the high-quality one-dimensional heterostructured Pd/Pd O nanowires(Pd/Pd O H-NWs).The as-prepared Pd/Pd O H-NWs have a large electrochemically active surface area, abundant defects and Pd/Pd O heterostructure. Electrochemical measurement results reveal that Pd/Pd O H-NWs exhibit up to 94% CO Faraday efficiency with a current density of 11.6 m A cm^(-2) at an applied potential of -0.8 V. Meanwhile, Pd/Pd O H-NWs can achieve a stable catalytic process of 12 h for CO_(2) ER. Such outstanding CO_(2) ER performance of Pd/Pd O H-NWs has also been verified in the flow cell test. The density functional theory calculations indicate that Pd/Pd O heterostructure can significantly weaken the CO adsorption on Pd sites, which improves the CO tolerance and consequently enhances the catalytic performance of Pd/Pd O H-NWs for CO_(2) ER. This work highlights a facile complex pyrolysis strategy for the synthesis of Pd-based CO_(2) ER catalysts and provides a new application instance of metal/metal oxide heterostructure in electrocatalysis.

关键词： Pd/PdO nanowires Heterostructure Carbon dioxide electrochemical reduction Carbon monoxide Faraday efficiency

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An interface shear damage model of chromium coating/steel substrate under thermal erosion load

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Defence technology（防务技术） 2021年第2期17卷 405-415页

作者： Xiao-long Li Yong Zang Yong Lian Min-yu Ma Lei Mu Qin Qin School of Mechanical Engineering University of Science and Technology BeijingBeijing100083China Institute for Advanced Materials and Technology University of Science and Technology BeijingBeijing100083China Beijing Key Laboratory for Corrosion Erosion and Surface TechnologyBeijing100083China

The Cr-plated coating inside a gun barrel can effectively improve the barrel’s erosion resistance and thus increase the service ***,due to the cyclic thermal load caused by high-temperature gunpowder,micro-element damage tends to occur within the Cr coating/steel substrate interface,leading to a gradual deterioration in macro-mechanical properties for the material in the related *** order to mimic this cyclic thermal load and,thereby,study the thermal erosion behavior of the Cr coating on the barrel’s inner wall,a laser emitter is utilized in the current *** the help of in-situ tensile test and finite element simulation results,a shear stress distribution law of the Cr coating/steel substrate and a change law of the interface ultimate shear strength are *** have shown that the Cr coating/steel substrate interface’s ultimate shear strength has a significant weakening effect due to increasing *** this study,the interfacial ultimate shear strength decreases from 2.57 GPa(no erosion)to 1.02 GPa(laser power is 160 W).The data from this experiment is employed to establish a Cr coating/steel substrate interface shear damage *** this model is used to predict the flaking process of Cr coating by finite element *** simulation results show that the increase of coating crack spacing and coating thickness will increase the service life of gun barrel.

关键词： Cr coating/steel substrate Thermal erosion Finite element simulation Ultimate shear strength Interface shear damage model

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Energy band and charge-carrier engineering in skutterudite thermoelectric materials

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Chinese Physics B 2022年第10期31卷 208-219页

作者： Zhiyuan Liu Ting Yang Yonggui Wang Ailin Xia Lianbo Ma Key Laboratory of Green Fabrication and Surface Technology of Advanced Metal Materials(Ministry of Education) Anhui University of TechnologyMaanshan 243002China School of Materials Science and Engineering Anhui University of TechnologyMaanshan 243002China

The binary CoSb_(3) skutterudite thermoelectric material has high thermal conductivity due to the covalent bond between Co and Sb, and the thermoelectric figure of merit, ZT, is very low. The thermal conductivity of CoSb_(3) materials can be significantly reduced through phonon engineering, such as low-dimensional structure, the introduction of nano second phases,nanointerfaces or nanopores, which greatly improves their ZT values. The phonon engineering can optimize significantly the thermal transport properties of CoSb_(3)-based materials. However, the improvement of the electronic transport properties is not obvious, or even worse. Energy band and charge-carrier engineering can significantly improve the electronic transport properties of CoSb_(3)-based materials while optimizing the thermal transport properties. Therefore, the decoupling of thermal and electronic transport properties of CoSb_(3)-based materials can be realized by energy band and charge-carrier engineering. This review summarizes some methods of optimizing synergistically the electronic and thermal transport properties of CoSb_(3) materials through the energy band and charge-carrier engineering strategies. Energy band engineering strategies include band convergence or resonant energy levels caused by doping/filling. The charge-carrier engineering strategy includes the optimization of carrier concentration and mobility caused by doping/filling, forming modulation doped structures or introducing nano second phase. These strategies are effective means to improve performance of thermoelectric materials and provide new research ideas of development of high-efficiency thermoelectric materials.

关键词： CoSb_(3)-based skutterudite materials energy band engineering charge-carrier engineering thermoelectric properties

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Influences of substituting of(Ni_(1/3)Nb(2/3))for Ti^(4+)on the phase compositions,microstructures,and dielectric properties of Li_(2)Zn[Ti_(1-x)(Ni_(1/3)Nb_(2/3))_(x)]_(3)O_(8)(0<≤x≤0.3)microwave ceramics

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Journal of advanced Ceramics 2023年第4期12卷 760-777页

作者： Jiamao Li Zexing Wang Yunfeng Guo Songlin Rana School of Materials Science and Engineering Anhui University of TechnologyMaanshan 243032China Key Laboratory of Green Fabrication and Surface Technology of Advanced Metal Materials Ministry of EducationAnhui University of TechnologyMaanshan 243002China

Complex ion substitution is gaining more attention as an appealing method of modifying the structure and performance of microwave *** this work,Li_(2)Zn[Ti_(1-x)(Ni_(1/3)Nb_(2/3))_(x)]_(3)O_(8),0≤x≤0.3ceramics were designed based on the complex ion substitution strategy,following the substitution rule of radius and valence to investigate the relationship among phase compositions(containing oxygen vacancies and Ti^(3+)ions),microstructures,and microwave dielectric characteristics of the LZTNNx *** samples maintained a single Li_(2)ZnTi_(3)O_(8)solid solution phase as x≤0.2,whereas the sample of x=0.3 produced a second phase with the LiNbO_(3)*** appropriate amount of(Ni_(1/3)Nb_(2/3))^(4+)substitution could slightly improve the densification of the LZTNNx ceramics due to the formation of the LiZnTi_(3)O_(8)solid solution accompanied by a decrease in the average grain *** presence of a new Aig Raman active band at about 848 cm^(-1)indicated that local symmetry changed,affecting atomic interactions of the LZTNNx *** variation of the relative dielectric constant(εr)was closely related to the molar volume ionic polarizability(α_(D)^(T)),and the temperature coefficient of the resonant frequency(τ_(f))was related to the bond valence(V_(1))of *** increase in density,the absence of the Ti3+ions and oxygen vacancies,and the reduction in damping behavior were responsible for the decreased dielectric *** LZTNNO.2 ceramics sintered at 1120℃exhibited favorable microwave dielectric properties:εr=22.13,quality factor(Q×f)=97,350 GHz,andτ_(f)=-18.60 ppm/C,which might be a promising candidate for wireless communication applications in highly selective electronics.

关键词： Li_(2)ZnTi_(3)O_(8)ceramics microwave dielectric properties microstructure Raman spectroscopy X-ray photoclcctron spectroscopy(XPS)

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