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Functional design and understanding of effective additives for achieving high-quality perovskite films and passivating surface defects

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Journal of Energy Chemistry 2025年第3期102卷 597-608页

作者： Fengwu Liu Jiacheng Xu Yongchao Ma Yoomi Ahn Xiangrui Du Eunhye Yang Haicheng Xia Bo Ram Lee Pesi Mwitumwa Hangoma Sung Heum Park Department of Physics Pukyong National UniversityBusan 608-737Republic of Korea Center for Polymers and Organic Solids University of California at Santa BarbaraSanta Barbara CA 93117USA Laboratory of Advanced Optoelectronic Materials Suzhou Key Laboratory of Novel Semiconductor-optoelectronics Materials and DevicesCollege of ChemistryChemical Engineering and Materials ScienceSoochow UniversitySuzhou 215000JiangsuChina Department of Chemistry and Pharmaceutical Science Qingdao Agricultural UniversityQingdao 266109ShandongChina School of Advanced Materials Science and Engineering Sungkyunkwan University(SKKU)Suwon16419Republic of Korea

Achieving high-quality perovskite films without surface defects is regarded as a crucial target for the development of durable high-performance perovskite solar *** engineering is commonly employed to simultaneously control the growth of perovskite crystals and passivate ***,4-(trifluoromethyl)benzoic anhydride(4-TBA)composed of benzene rings functionalized with carbonyl and trifluoromethyl groups was used as an example additive to study the characteristics of additives used for producing high-quality perovskites and controlling their surface *** interaction between4-TBA and perovskite precursor materials was investigated using density functional theory(DFT)*** electron-rich carbonyl group efficiently passivated the under-coordinated lead-ion ***,hydrogen bonding between trifluoromethyl and organic cations prevents the generation of cation *** of its intrinsic hydrophobicity,the trifluoromethyl group simultaneously improves the moisture and heat stability of the film.4-TBA serves as a universal modifier for various perovskite *** power conversion efficiency(PCE)of inverted perovskite solar cells(PSCs)based on methylammonium(MA)with 4-TBA was improved from 16.15%to 19.28%.Similarly,the PCE of inverted PSCs based on a cesium formamidinium MA(CsFAMA)perovskite film increased from20.72%to 23.58%,upon addition of ***,the moisture and thermal stability of 4-TBAtreated films and devices was significantly enhanced,along with prolonged device *** work provides guidance on selecting the structure and functional groups that are essential for surface defect passivation and the production of high-quality perovskites.

关键词： Perovskite solar cells Regulated crystal growth Defect passivation 4-(trifluoromethyl)benzoic anhydride Perovskite stability

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Pressure-induced nano-crystallization and high hardness of optically transparentα-Si_(3)N_(4) ceramics

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science China(physics,Mechanics & Astronomy) 2025年第5期68卷 183-191页

作者： Shuailing Ma Wei Li Xiaoqi Zhang Kathy Lu Min Lian Xinmiao Wei Yilong Pan Hai Jiang Hongwei Wang Zihan Zhang Qiang Tao Tian Cui Ralf Riedel Pinwen Zhu Institute of High-Pressure Physics School of Physical Scientific and TechnologyNingbo UniversityNingbo 315211China Synergetic Extreme Condition High-Pressure Science Center State Key Laboratory of Superhard MaterialsCollege of PhysicsJilin UniversityChangchun 130012China Department of Mechanical and Materials Engineering University of Alabama at BirminghamBirmingham AL 35294USA Department of Materials and Earth Sciences Technical University of DarmstadtDarmstadt 64287Germany

Transparent silicon nitride ceramics with good optical and mechanical properties are promising ceramics for scientific and industrial window materials with a long service *** optical transparency and mechanical strength will be substantially enhanced in dense nano-polycrystalline ***,the synthesis of nano-polycrystallineα-Si_(3)N_(4) has not been realized due to the limitations of conventional sintering ***,nano-polycrystallineα-Si_(3)N_(4) was prepared by direct conversion of micron-grain silicon nitride without additives under high-pressure conditions of 5 GPa and a limited temperature range 1650℃-1700℃.The micron-sized grains undergo grain refinement and recrystallization to form uniform nano-grains under high pressure and high ***,transparentα-Si_(3)N_(4) samples exhibit the highest Vickers hardness of 26.7 GPa,which is far higher than that of specimens with or without additives used in other sintering methods(e.g.,SPS,and HP).According to the Hall-Petch and Taylor dislocation hardening effects,the refined nano-grains,coherent grain boundaries,and high dislocation density lead to high ***,the high density,nanoscale grains,and fine grain boundaries are ascribed to the improvement of ***-pressure sintering induces grain refinement,grain coherency,and increased dislocation in silicon nitrides,thus providing a promising method for preparing advanced transparent ceramic windows in the future.

关键词： silicon nitride high pressure and high temperature transparent ceramics hardness

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Advanced yttria-stabilized zirconia composites through in situ growth zeolitic imidazolate framework-derived nanocarbon

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Ceramics International 2025年第15期51卷 20283-20289页

作者： Cakan, Niyaz Bayrak, Kubra Gurcan Duden, Enes Ibrahim Caglar, Mujdat Erkartal, Mustafa Zheng, Qi Jiang, Wan Sen, Unal Department of Materials Science and Engineering Engineering Eskisehir Technical University Eskisehir26555 Turkey Department of Physics Science Eskisehir Technical University Eskisehir26470 Turkey Department of Basic Sciences Engineering Architecture and Design Bartın University Bartın74100 Turkey State Key Laboratory for Modification of Chemical Fibers and Polymer Materials & College of Materials Science and Engineering Donghua University Shanghai201620 China Advanced Technologies Application and Research Center Eskisehir Technical University Eskisehir26555 Turkey

Advanced ceramics are valued for their exceptional mechanical and electrical properties, which can be further improved by incorporating micro and nanostructures as reinforcements. Carbon allotropes such as carbon nanotubes and graphene have been widely utilized in ceramic matrix composites (CMCs) to enhance fracture toughness and electrical conductivity. However, challenges like nanocarbon agglomeration and weak interfacial bonding with ceramics often hinder their effectiveness. Metal-organic frameworks (MOFs) offer a promising alternative due to their carbon-rich structure, which can be carbonized and homogeneously integrated into ceramic matrices. In this study, we propose a novel approach by directly growing ZIF-67 MOF crystals around yttria-stabilized zirconia (YSZ) nanoparticles to achieve a more uniform distribution compared to conventional physical mixing methods. The resulting YSZ/ZIF-67 composites, fabricated via spark plasma sintering (SPS), exhibited a 44 % increase in fracture toughness, attributed to the refined microstructure and the energy-wasting of crack by deflection and bridging effect of the derived nanocarbons. Additionally, electrical conductivity improved by 9 orders of magnitude, benefiting from the percolation network formed by carbonized ZIF-67. Structural analyses, including X-ray diffraction (XRD), scanning electron microscopy (SEM), and Raman spectroscopy, confirmed the successful incorporation and uniform distribution of nanocarbons within the ceramic matrix. These findings demonstrate that MOF-derived carbon structures can significantly enhance both the mechanical and electrical performance of ceramic composites, offering potential applications in energy storage, electronic devices, and structural materials. © 2025 Elsevier Ltd and Techna Group S.r.l.

关键词： Fracture toughness

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Nanoscale Electron Beam Patterning of PEDOT:PSS Free-Standing Films for Enhanced Thermoelectric Performance

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Energy & Environmental materials 2025年第2期8卷 312-319页

作者： Hyejeong Lee Sunho Lee Sohyang Cha Gopinathan Anoop Hosun Shin Division of Chemical and Materials Metrology Korea Research Institute of Standards and Science(KRISS)Daejeon 34113Korea Department of Aerospace Engineering University of Illinois at Urbana-ChampaignIllinois 61801USA Department of Physics Amrita Vishwa VidyapeethamAmritapuri 690525India Department of Applied Measurement Science University of Science and Technology(UST)Daejeon 34113Korea

The growing demand for flexible,lightweight,and highly processable electronic devices makes high-functionality conducting polymers such as poly(3,4-ethylene dioxythiophene):polystyrene sulfonate(PEDOT:PSS)an attractive alternative to conventional inorganic materials for various applications including ***,considerable improvements are necessary to make conducting polymers a commercially viable choice for thermoelectric *** study explores nanopatterning as an effective and unique strategy for enhancing polymer functionality to optimize thermoelectric parameters,such as electrical conductivity,Seebeck coefficient,and thermal *** nanopatterning into thermoelectric polymers is challenging due to intricate technical hurdles and the necessity for individually manipulating the interdependent thermoelectric ***,array nanopatterns with different pattern spacings are imposed on free-standing PEDOT:PSS films using direct electron beam irradiation,thereby achieving selective control of electrical and thermal transport in PEDOT:*** beam irradiation transformed PEDOT:PSS from a highly ordered quinoid to an amorphous benzoid *** pattern spacing resulted in a remarkable 70%reduction in thermal conductivity and a 60%increase in thermoelectric figure of merit compared to non-patterned PEDOT:*** proposed nanopatterning methodology demonstrates a skillful approach to precisely manipulate the thermoelectric parameters,thereby improving the thermoelectric performance of conducting polymers,and promising utilization in cutting-edge electronic applications.

关键词： nanotechnology polymers semiconductors thermoelectrics

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Holographic einstein ring of deformed AdS-Schwarzschild black holes

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Frontiers of physics 2025年第2期20卷 1-11页

作者： Jin-Yu Gui Ke-Jian He Huan Ye Xiao-Xiong Zeng Department of Mechanics Chongqing Jiaotong UniversityChongqing 400074China School of Materials Science and Engineering Chongqing Jiaotong UniversityChongqing 400074China College of Physics and Electronic Engineering Chongqing Normal UniversityChongqing 401331China

In this work,the wave optics is employed to investigate the Einstein ring of a deformed AdS-Schwarzschild black hole(BH).When the source is fixed on the AdS boundary,one can obtain the corresponding response function generated on the antipodal side of the *** utilizing a virtual optical system equipped with a convex lens,we are able to capture an image of the BH’s holographic Einstein ring on the *** influence of the relevant physical parameters and the observer’s position on the characteristics of the Einstein ring is also investigated,revealing that variations in the observer’s position result in a transition of the displayed image from an axisymmetric ring to an arc,ultimately converging into a solitary point of *** addition,variations in the relevant physical parameters naturally exert influences on the Einstein *** photon ring of the BH was also investigated from a geometric optics perspective,and the numerical results indicate that the incident angle of the photon ring aligns with that of the Einstein *** the context of modified gravity theories,the investigation of Einstein rings formed by deformed AdS-Schwarzschild BH is expected to not only contribute to advancing the development of gravitational theories but also facilitate a more comprehensive understanding of spacetime geometry and the physical properties of BHs,thereby distinguishing them from Schwarzschild BH.

关键词： deformed AdS-Schwarzschild black hole AdS/CFT correspondence Einstein ring wave optics

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Dynamical phase-field model of cavity electromagnonic systems

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npj Computational materials 2024年第1期10卷 1263-1273页

作者： Shihao Zhuang Yujie Zhu Changchun Zhong Liang Jiang Xufeng Zhang Jia-Mian Hu Department of Materials Science and Engineering University of Wisconsin-MadisonMadisonWI53706USA Pritzker School of Molecular Engineering The University of ChicagoChicagoIL60637USA Department of Electrical and Computer Engineering Northeastern UniversityBostonMA02115USA Department of Physics Northeastern UniversityBostonMA02115USA

Cavity electromagnonic system,which simultaneously consists of cavities for photons,magnons(quanta of spin waves),and acoustic phonons,provides an exciting platform to achieve coherent energy transduction among different physical systems down to single quantum *** we report a dynamical phase-field model that allows simulating the coupled dynamics of the electromagnetic waves,magnetization,and strain in 3D multiphase *** examples of application,we computationally demonstrate the excitation of hybrid magnon-photon modes(magnon polaritons),Floquet-induced magnonic Aulter-Townes splitting,dynamical energy exchange(Rabi oscillation)and relative phase control(Ramsey interference)between the two magnon polariton *** simulation results are consistent with analytical calculations based on Floquet Hamiltonian *** are also performed to design a cavity electro-magno-mechanical system that enables the triple phononmagnon-photon resonance,where the resonant excitation of a chiral,fundamental(n=1)transverse acoustic phonon mode by magnon polaritons is *** the capability to predict coupling strength,dissipation rates,and temporal evolution of photon/magnon/phonon mode profiles using fundamental materials parameters as the inputs,the present dynamical phase-fieldmodel represents a valuable computational tool to guide the fabrication of the cavity electromagnonic system and the design of operating conditions for applications in quantum sensing,transduction,and communication.

关键词： theory phonon phase

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Low-temperature spin Seebeck effect in nonmagnetic vanadium dioxide

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Physical Review B 2024年第2期110卷 024415-024415页

作者： Renjie Luo Tanner J. Legvold Liyang Chen Henry Navarro Ali C. Basaran Deshun Hong Changjiang Liu Anand Bhattacharya Ivan K. Schuller Douglas Natelson Department of Physics and Astronomy Applied Physics Graduate Program Rice Quantum Institute Department of Physics and Center for Advanced Nanoscience Materials Science Division Department of Electrical and Computer Engineering Department of Materials Science and NanoEngineering

The spin Seebeck effect (SSE) is sensitive to thermally driven magnetic excitations in magnetic insulators. Vanadium dioxide in its insulating low-temperature phase is expected to lack magnetic degrees of freedom, as vanadium atoms are thought to form singlets upon dimerization of the vanadium chains. Instead, we find a paramagnetic SSE response in VO2 films that grows as the temperature decreases below 50 K. The field and temperature-dependent SSE voltage is qualitatively consistent with a general model of paramagnetic SSE response and inconsistent with triplet spin transport. Quantitative estimates find a spin Seebeck coefficient comparable in magnitude to that observed in strongly magnetic materials. The microscopic nature of the magnetic excitations in VO2 requires further examination.

关键词： Spin Seebeck effect Paramagnets Strongly correlated systems

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Machine learning potential assisted exploration of complex defect potential energy surfaces

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npj Computational materials 2024年第1期10卷 3017-3023页

作者： Chao Jiang Chris A.Marianetti Marat Khafizov David H.Hurley Computational Mechanics and Materials Department Idaho National LaboratoryIdaho FallsID 83415USA Department of Applied Physics and Applied Mathematics Columbia UniversityNew YorkNY 10027USA Department of Mechanical and Aerospace Engineering The Ohio State UniversityColumbusOH 43210USA Materials Science and Engineering Department Idaho National LaboratoryIdaho FallsID 83415USA

Atomic-scale defects generated in materials under both equilibrium and irradiation conditions can significantly impact their physical and mechanical *** the energetically most favorable ground-state configurations of these defects is an important step towards the fundamental understanding of their influence on the performance of materials ranging from photovoltaics to advanced nuclear ***,using fluorite-structured thorium dioxide(ThO_(2))as an exemplar,we demonstrate how density functional theory and machine learning interatomic potential can be synergistically combined into a powerful tool that enables exhaustive exploration of the large configuration spaces of small point defect *** study leads to several unexpected discoveries,including defect polymorphism and ground-state structures that defy our physical *** physical origins of these unexpected findings are elucidated using a local cluster expansion model developed in this work.

关键词： properties defect potential

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Observing suppressed polarization in flexible ferroelectric negative capacitance field effect transistors

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Journal of Materiomics 2024年第4期10卷 762-769页

作者： Chuanlai Ren Liyufen Dai Congbing Tan Guangtong Yuan Ke Qu Jinbin Wang Xiangli Zhong Mingqiang Huang Jiyan Dai Gaokuo Zhong Jiangyu Li Shenzhen Institutes of Advanced Technology Chinese Academy of SciencesShenzhen518055GuangdongChina Guangdong Provincial Key Laboratory of Functional Oxide Materials and Devices Southern University of Science and TechnologyShenzhen518055GuangdongChina School of Materials Science and Engineering Xiangtan UniversityXiangtan411105HunanChina School of Physics and Electronics Hunan University of Science and TechnologyXiangtan411201HunanChina Department of Materials Science and Engineering Southern University of Science and TechnologyShenzhen518055GuangdongChina Department of Applied Physics The Hong Kong Polytechnic UniversityHong Kong999077China

Negative capacitance(NC)has the potential to enable low power microelectronics beyond the fundamental thermionic limit,and it has been theorized that the thermodynamically unstable NC of ferroelectrics can be stabilized by linear dielectric,making negative capacitance ferroelectric field effect transistors(NC-FeFET)***,the validity of NC as a physical concept for ferroelectrics remain contentious despite numerous theoretical and experimental investigations,and the intrinsic ferroelectric NC with suppressed polarization has not been demonstrated except locally at vortex *** NC-FeFET with subthreshold swing(SS)lower than 60 mV/dec limit has been reported,such device characteristics has not been directly connected to suppressed polarization at materials’level,and alternative mechanisms other than NC have also been *** we demonstrate stable sub-60 mV/dec SS with hysteresis free Isingle bondV in NC-FeFET based on SrTiO_(3)/Pb(Zr_(0.1)Ti_(0.9))O_(3)/SrTiO_(3) heterostructure,and observe its suppressed polarization at both macroscopic and microscopic *** intrinsic ferroelectric NC thus is experimentally confirmed and directly connected to NC-FeFET performance,and the mica-based device is also highly flexible and robust under cyclic bending as well as extended heating.

关键词： Negative capacitance field-effect transistors Ferroelectric Pulse laser deposition Mica

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Ultra-strong and ductile precipitation-strengthened high entropy alloy with 0.5%Nb addition produced by laser additive manufacturing

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Journal of materials science & Technology 2024年第20期187卷 195-211页

作者： Wei Zhang Ali Chabok Hui Wang Jiajia Shen J.P.Oliveira Shaochuan Feng Nobert Schell Bart J.Kooi Yutao Pei Advanced Production Engineering Engineering and Technology Institute GroningenFaculty of Science and EngineeringUniversity of GroningenNijenborgh 49747 AGthe Netherlands Nanostructured Materials and Interfaces Zernike Institute for Advanced MaterialsFaculty of Science and EngineeringUniversity of GroningenNijenborgh 49747 AGthe Netherlands UNIDEMI Department of Mechanical and Industrial EngineeringNOVA School Science and TechnologyUniversidade NOVA de LisboaCaparica 2829-516Portugal CENIMAT/I3N Department of Materials ScienceNOVA School of Science and TechnologyUniversidade NOVA de Lisboa2829-516 CaparicaPortugal School of Mechanical Engineering University of Science and Technology BeijingBeijing 100083China Institute of Materials Physics Helmholtz-Zentrum HereonMax-Planck-Str.1GeesthachtD-21502Germany

Achieving a superior strength-ductility combination for fcc single-phase high entropy alloys(HEAs)is *** present work investigates the in-situ synthesis of Fe_(49.5)Mn_(30)Co_(10)Cr_(10)C_(0.5)interstitial solute-strengthened HEA containing 0.5 wt.%Nb(hereafter referred to as iHEA-Nb)using laser melt-ing deposition(LMD),aiming at simultaneously activating multiple strengthening *** effect of Nb addition on the microstructure evolution,mechanical properties,strengthening and deformation mechanisms of the as-deposited iHEA-Nb samples was comprehensively *** levels of het-erogeneity were observed in the LMD-deposited microstructure,including different grain sizes,cellular subgrain structures,various carbide precipitates,as well as elemental *** incorporation of Nb atoms with a large radius leads to lattice distortion,reduces the average grain size,and increases the types and fractions of carbides,aiding in promoting solid solution strengthening,grain boundary strengthening,and precipitation *** test results show that the Nb addition significantly increases the yield strength and ultimate tensile strength of the iHEA to 1140 and 1450 MPa,respectively,while maintaining the elongation over 30%.Deformation twins were generated in the tensile deformed samples,contributing to the occurrence of twinning-induced *** outstanding combination of strength and ductility exceeds that for most additively manufactured HEAs reported to date,demon-strating that the present in situ alloying strategy could provide significant advantages for developing and tailoring microstructures and balancing the mechanical properties of HEAs while avoiding conventional complex thermomechanical *** addition,single-crystal micropillar compression tests revealed that although the twining activity is reduced by the Nb addition to the iHEA,the micromechanical prop-erties of grains with different orientations were signi

关键词： Laser additive manufacturing High entropy alloy In situ alloying Precipitation strengthening Deformation mechanism Mechanical properties

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