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Defect Engineering with Rational Dopants Modulation for High‑Temperature Energy Harvesting in Lead‑Free Piezoceramics

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Nano-Micro Letters 2025年第3期17卷 87-101页

作者： Kaibiao Xi Jianzhe Guo Mupeng Zheng Mankang Zhu Yudong Hou Key laboratory of Advanced Functional Materials Ministry of EducationCollege of Materials Science and EngineeringBeijing University of TechnologyBeijing 100124People’s Republic of China

High temperature piezoelectric energy harvester(HTPEH)is an important solution to replace chemical battery to achieve independent power supply of HT wireless ***,simultaneously excellent performances,including high figure of merit(FOM),insulation resistivity(ρ)and depolarization temperature(Td)are indispensable but hard to achieve in lead-free piezoceramics,especially operating at 250°C has not been reported ***,well-balanced performances are achieved in BiFeO3–BaTiO3 ceramics via innovative defect engineering with respect to delicate manganese *** to the synergistic effect of enhancing electrostrictive coefficient by polarization configuration optimization,regulating iron ion oxidation state by high valence manganese ion and stabilizing domain orientation by defect dipole,comprehensive excellent electrical performances(Td=340°C,ρ250°C>10^(7)Ωcm and FOM_(250°C)=4905×10^(–15)m^(2)N^(−1))are realized at the solid solubility limit of manganese *** HT-PEHs assembled using the rationally designed piezoceramic can allow for fast charging of commercial electrolytic capacitor at 250°C with high energy conversion efficiency(η=11.43%).These characteristics demonstrate that defect engineering tailored BF-BT can satisfy high-end HT-PEHs requirements,paving a new way in developing selfpowered wireless sensors working in HT environments.

关键词： Lead-free piezoceramic Defect engineering Dopants modulation High-temperature Piezoelectric energy harvester

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Magnetron sputtered nickel oxide with suppressed interfacial defect states for efficient inverted perovskite solar cells

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Journal of Energy Chemistry 2025年第1期100卷 348-355页

作者： Guoqiang Ma Qin Tan Zhaoning Li Jingwei Xiu Jiafeng Wang Tianle Cheng Dong He Qiang Sun Xuhang Ma Francesco Lamberti Zhubing He Department of Materials science and Engineering Institute of Innovative Materials (I2M) Shenzhen Key Laboratory of Full Spectral Solar Electricity Generation (FSSEG)Southern University of Science and Technology (SUSTech) Core Research Facilities Southern University of Science and Technology Department of Chemical sciences Department of Industrial Engineering University of Padova

Widely used spin-coated nickle oxide （NiOx） based perovskite solar cells often suffer from severe interfacial reactions between the NiOxand adjacent perovskite layers due to surface defect states,which inherently impair device performance in a long-term view,even with surface molecule *** this study,we developed high-quality magnetron-sputtered NiOxthin films through detailed process optimization,and compared systematically sputtered and spin-coated NiOxthin film surfaces from materials to *** sputtered NiOxfilms exhibit improved crystallinity,smoother surfaces,and significantly reduced Ni3+or Ni vacancies compared to their spin-coated ***,the interface between the perovskite and sputtered NiOxfilm shows a substantially reduced density of defect *** solar cells （PSCs） fabricated with our optimally sputtered NiOxfilms achieved a high power conversion efficiency （PCE） of up to 19.93%and demonstrated enhanced stability,maintaining 86.2% efficiency during 500 h of maximum power point tracking under one standard sun ***,with the surface modification using (4-(2,7-dibromo-9,9-dimethylacridin-10（9H）-yl)butyl)p hosphonic acid （DMAcPA）,the device PCE was further promoted to 23.07%,which is the highest value reported for sputtered NiOxbased PSCs so far.

关键词： Perovskite

Quantum public-key crypto via EPR pairs

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science China(Physics,Mechanics & Astronomy) 2025年第1期Mechanics & Astronomy) .卷 58-63页

作者： Xiang-Qun Fu Hong-Wei Li Jian-Hong Shi Tan Li Wan-Su Bao Henan Key laboratory of Quantum Information and Cryptography Information Engineering University Synergetic Innovation Center of Quantum Information and Quantum Physics University of Science and Technology of China

With the development of quantum computing technology, quantum public-key cryptography is gradually becoming an alternative to the existing classical public-key cryptography. This paper designs a quantum trapdoor one-way function via EPR pairs and quantum measurements. Based on this, a new quantum public-key cryptosystem is presented, which offers forward security,and can resist the chosen-plaintext attack and chosen-ciphertext attack. Compared with the existing quantum public-key cryptos,eavesdropping can be automatically detected in this new quantum public-key cryptosystem under a necessary condition, which is also detailed in the paper.

关键词： quantum public-key crypto trapdoor one-way function EPR pairs

High-throughput screening of CO_(2) cycloaddition MOF catalyst with an explainable machine learning model

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Green Energy & Environment 2025年第1期10卷 132-138页

作者： Xuefeng Bai Yi Li Yabo Xie Qiancheng Chen Xin Zhang Jian-Rong Li Beijing Key laboratory for Green Catalysis and Separation and Department of Chemical Engineering College of Materials Science&EngineeringBeijing University of TechnologyBeijing100124China

The high porosity and tunable chemical functionality of metal-organic frameworks(MOFs)make it a promising catalyst design ***-throughput screening of catalytic performance is feasible since the large MOF structure database is *** this study,we report a machine learning model for high-throughput screening of MOF catalysts for the CO_(2) cycloaddition *** descriptors for model training were judiciously chosen according to the reaction mechanism,which leads to high accuracy up to 97%for the 75%quantile of the training set as the classification *** feature contribution was further evaluated with SHAP and PDP analysis to provide a certain physical understanding.12,415 hypothetical MOF structures and 100 reported MOFs were evaluated under 100℃ and 1 bar within one day using the model,and 239 potentially efficient catalysts were *** them,MOF-76(Y)achieved the top performance experimentally among reported MOFs,in good agreement with the prediction.

关键词： Metal-organic frameworks High-throughput screening Machine learning Explainable model CO_(2)cycloaddition

Practical approach for detecting k-nonseparability of multipartite quantum states

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science China(Physics,Mechanics & Astronomy) 2025年第1期Mechanics & Astronomy) .卷 32-48页

作者： Jie Guo Jinchuan Hou Xiaofei Qi Kan He College of Mathematics Taiyuan University of Technology School of Mathematics and Statistics Shanxi University Key laboratory of Complex Systems and Data science of Ministry of Education Shanxi University

The instantaneous detection of entanglement in quantum states poses a significant challenge in the fields of quantum computation and quantum information, and there are no practical methods or tools to complete this task satisfactorily so far. We propose a sufficient and necessary criterion of k-nonseparability for any n-partite finite or infinite dimensional systems, 2 ≤ k ≤ n. This criterion serves as the foundation for a practical scheme designed to detect entanglement and k-nonseparability across multipartite finite-dimensional systems. To exemplify the application of our scheme, we have developed a software tool that facilitates swift and precise identification of entanglement, k-nonseparability, and genuine entanglement within n-qubit systems, specifically tailored for systems with 2 ≤ n ≤ 4.

关键词： multipartite systems entanglement states entanglement witnesses ${\bm~k}$-nonseparability

Impregnating photo-stable gold precursor onto uncalcined TS-1 to boost catalytic hydro-oxidation of propane

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science China Chemistry 2025年

作者： Zhihua Zhang Erchuan Yang Fan Liu Kesheng Xu Yuxia Zhong Jinwei Sun Shudong Shi Xuezhi Duan Xinggui Zhou State Key laboratory of Chemical Engineering East China University of Science and Technology

Immobilizing highly dispersed Au nanoparticles onto titanium silicalite-1 (TS-1) by a simple impregnation method under light is still a challenging *** this work,a high photostable Au precursor protected by thiol ligands was firstly synthesized,and the as-prepared Au precursor displayed excellent stability under light for over 30 days,while the Au precursor without thiol ligands formed precipitates after just 2 h under ***,the Au precursor protected by thiol ligands was immobilized on the external surface of uncalcined TS-1 (i.e.,TS-1-B) by the incipient wetness impregnation method (IWI method) to prepare Au/TS-1-B *** activity of as-prepared Au/TS-1-B catalyst in the hydro-oxidation of propane to acetone was 1.4 times higher than that of the catalyst prepared by the deposition-precipitation urea method (DPU method).The structures of the Au/TS-1-B catalysts prepared by different methods were analyzed by multiple *** to the Au/TS-1-B catalyst prepared by the DPU method,the Au/TS-1-B catalyst synthesized by the IWI method exhibited a narrower size distribution of Au nanoparticles and had more small Au particles (<2 nm),which is the main reason for its superior ***,the effects of gold loadings,reaction temperature and Si/Ti molar ratio on the catalytic performance of the Au/TS-1-B catalyst prepared by the IWI method were also *** addition,the Au/TS-1-B catalyst prepared by the IWI method also exhibited excellent stability for over 140 h.

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Effects of aggregate size distribution and carbon nanotubes on the mechanical properties of cemented gangue backfill samples under true triaxial compression

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 311-324页

作者： Qian Yin Fan Wen Zhigang Tao Hai Pu Tianci Deng Yaoyao Meng Qingbin Meng Hongwen Jing Bo Meng Jiangyu Wu State Key laboratory of Intelligent Construction and Healthy Operation and Maintenance of Deep Underground Engineering China University of Mining and TechnologyXuzhou 221116China State Key laboratory of Mining Response and Disaster Prevention and Control in Deep Coal Mines Anhui University of Science and TechnologyHuainan 232001China State Key laboratory for Geomechanics&Deep Underground Engineering China University of Mining and Technology(Beijing)Beijing 100083China Key laboratory of Xinjiang Coal Resources Green Mining Ministry of EducationXinjiang Institute of EngineeringUrumqi 830023China

The mechanical behavior of cemented gangue backfill materials(CGBMs)is closely related to particle size distribution(PSD)of aggregates and properties of cementitious ***,the true triaxial compression tests,CT scanning,SEM,and EDS tests were conducted on cemented gangue backfill samples(CGBSs)with various carbon nanotube concentrations(P_(CNT))that satisfied fractal theory for the PSD of *** mechanical properties,energy dissipations,and failure mechanisms of the CGBSs under true triaxial compression were systematically *** results indicate that appropriate carbon nanotubes(CNTs)effectively enhance the mechanical properties and energy dissipations of CGBSs through micropore filling and microcrack bridging,and the optimal effect appears at P_(CNT)of 0.08wt%.Taking PSD fractal dimension(D)of 2.500 as an example,compared to that of CGBS without CNT,the peak strength(σ_(p)),axial peak strain(ε_(1,p)),elastic strain energy(Ue),and dissipated energy(U_(d))increased by 12.76%,29.60%,19.05%,and90.39%,***,excessive CNTs can reduce the mechanical properties of CGBSs due to CNT agglomeration,manifesting a decrease inρ_(p),ε_(1,p),and the volumetric strain increment(Δε_(v))when P_(CNT)increases from 0.08wt%to 0.12wt%.Moreover,the addition of CNTs improved the integrity of CGBS after macroscopic failure,and crack extension in CGBSs appeared in two modes:detour and pass through the ***σ_(p)and U_(d)firstly increase and then decrease with increasing D,and porosity shows the opposite ***ε_(1,p)andΔε_(v)are negatively correlated with D,and CGBS with D=2.150 has the maximum deformation parameters(ε_(1,p)=0.05079,Δε_(v)=0.01990)due to the frictional slip effect caused by coarse *** increasing D,the failure modes of CGBSs are sequentially manifested as oblique shear failure,"Y-shaped"shear failure,and conjugate shear failure.

关键词： cemented gangue backfill materials particle size distribution true triaxial compression test carbon nanotubes mechanical properties failure modes

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Experimental Research on a Feasible Building Insulation Material Based Reed in China

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Journal of Thermal science 2025年第1期34卷 176-187页

作者： LIU Tiantian PENG Yizhe LIU Lifang CAI Chenghan WANG Shuang LI Hongqiang College of Civil Engineering Hunan University College of Civil Engineering Hunan University of Science and Technology School of Energy and Power Jiangsu University of Science and Technology National Center for International Research Collaboration in Building Safety and Environment (NCIRCBSE) Hunan University Key laboratory of Building Safety and Energy Efficiency of the Ministry of Education Hunan University

The seemingly useless reeds are prepared as thermal insulation materials,which not only meet the requirements of environmental sustainability but also enhance the added value of reeds,creating new economic *** hydrophobicity of raw biomass surfaces leads to problems such as weak bonding strength and non-dense structure in the formed materials,as well as issues related to the residual insect infestations on the *** this study,reed straw was used as the raw material,and foamed geopolymer was used as the binder to prepare building insulation materials based *** improve the interfacial adhesion performance between reed straw and foamed geopolymer,a thermochemical modification method-thermal carbonization,was *** this study,the mechanical properties and hydraulic properties of the studied materials with different degrees of surface thermal modification were tested,especially the fire resistance performance,and weathering resistance performance rarely found in published *** the surface thermal modification condition of reed straw was 250℃（30 min）,the comprehensive performance of reed-based building insulation materials was the best,when the studied material density was 321.3 kg/m3;the compressive strength was 0.59 MPa;the thermal conductivity was 0.101 W/（m·K）;the pH was 11.27;the moisture absorption rate was 25.1%,and the compressive strength loss rate in wet-dry cycles was 18.5%.In addition,it had excellent fire resistance performance and weathering resistance *** new material can be widely used to improve the thermal insulation of traditional buildings and as sandwich filler in prefabricated buildings,such as preparing insulating walls.

关键词： building insulation material based reed fire resistance performance interface adhesion properties pre-treatment of reeds weathering resistance performance

Photo‑Energized MoS_(2)/CNT Cathode for High‑Performance Li–CO_(2)Batteries in a Wide‑Temperature Range

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Nano-Micro Letters 2025年第1期17卷 160-175页

作者： Tingsong Hu Wenyi Lian Kang Hu Qiuju Li Xueliang Cui Tengyu Yao Laifa Shen Jiangsu Key laboratory of Materials and Technologies for Energy Storage College of Materials Science and TechnologyNanjing University of Aeronautics and AstronauticsNanjing 210016People’s Republic of China

Li–CO_(2) batteries are considered promising energy storage systems in extreme environments such as Mars;however,severe performance degradation will occur at a subzero temperature owning to the sluggish reaction ***,a photo-energized strategy adopting sustainable solar energy in wide working temperature range Li–CO_(2) battery was achieved with a binder-free MoS_(2)/carbon nanotube(CNT)photo-electrode as *** unique layered structure and excellent photoelectric properties of MoS_(2) facilitate the abundant generation and rapid transfer of photo-excited carriers,which accelerate the CO_(2) reduction and Li_(2)CO_(3) decomposition upon *** illuminated battery at room temperature exhibited high discharge voltage of 2.95 V and mitigated charge voltage of 3.27 V,attaining superior energy efficiency of 90.2%and excellent cycling stability of over 120 *** at an extremely low temperature of−30℃,the battery with same electrolyte can still deliver a small polarization of 0.45 V by the photoelectric and photothermal synergistic mechanism of MoS_(2)/CNT *** work demonstrates the promising potential of the photo-energized wide working temperature range Li–CO_(2) battery in addressing the obstacle of charge overpotential and energy efficiency.

关键词： Li-CO_(2)batteries Photo-energized Wide operation-temperature Kinetics MoS_(2)

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