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Accurate prediction of oxygen vacancy concentration with disordered A-site cations in high-entropy perovskite oxides

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npj Computational Materials 2023年第1期9卷 2053-2065页

作者： Jiyun Park Boyuan Xu Jie Pan Dawei Zhang Stephan Lany Xingbo Liu Jian Luo Yue Qi School of Engineering Brown UniversityProvidenceRI 02912USA Department of Physics Brown UniversityProvidenceRI 02912USA Department of Chemical Engineering and Materials Science Michigan State UniversityEast LansingMI 48824USA Program of Materials Science and Engineering University of California San DiegoLa JollaCA 92093USA Materials Science Center National Renewable Energy LaboratoryGoldenCO 80401USA Department of Mechanical and Aerospace Engineering Benjamin M.Statler College of Engineering and Mineral ResourcesWest Virginia UniversityMorgantownWV 26506USA Department of NanoEngineering University of California San DiegoLa JollaCA 92093USA

Entropic stabilized ABO_(3) perovskite oxides promise many applications,including the two-step solar thermochemical hydrogen(STCH)*** binary and quaternary A-site mixed{A}FeO_(3) as a model system,we reveal that as more cation types,especially above four,are mixed on the A-site,the cell lattice becomes more cubic-like but the local Fe–O octahedrons are more *** comparing four different Density Functional Theory-informed statistical models with experiments,we show that the oxygen vacancy formation energies(E^(f)_(V))distribution and the vacancy interactions must be considered to predict the oxygen non-stoichiometry(δ)*** STCH applications,the E^(f)_(V) distribution,including both the average and the spread,can be optimized jointly to improveΔδ(difference ofδbetween the two-step conditions)in some hydrogen production *** model can be used to predict the range of water splitting that can be thermodynamically improved by mixing cations in{A}FeO_(3) perovskites.

关键词： perovskite vacancy oxides

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Microwave-accelerated direct regeneration of LiCoO_(2)cathodes for Li-ion batteries

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Science China Chemistry 2024年第7期67卷 2181-2189页

作者： Xueshan Hu Yun-Chao Yin Chao Li Lihui Zhou Lin Yang Yitian Feng Daxian Zuo Chenhui Ning Das Soham Sheng Dai Longbin Qiu Lin Zeng Haw Jiunn Woo Jiayu Wan Future Battery Research Center Global Institute of Future TechnologyShanghai Jiao Tong UniversityShanghai 200240China Department of Mechanical and Energy Engineering Southern University of Science and TechnologyShenzhen 518055China Centre for Ionics University of Malaya Department of PhysicsFaculty of ScienceUniversity of MalayaKuala Lumpur 50603Malaysia Key Laboratory for Advanced Materials and Feringa Nobel Prize Scientist Joint Research Center School of Chemistry and Molecular EngineeringEast China University of Science and TechnologyShanghai 200237China Department of Natural and Applied Sciences Duke Kunshan UniversityKunshan 215316China

Recycling spent lithium-ion batteries is integral to today's low-carbon environmental protection *** concept of direct regeneration,acknowledged for its environmental sustainability,economic viability,and consistent performance of recycled materials,is gaining *** study presents an efficient and nondestructive approach by utilizing an ultrafast microwave technology to directly regenerate spent lithium cobaltate(LCO)cathode *** contrast to conventional furnacebased processes,this method significantly reduces the regeneration *** subjecting the spent LCO mixed with lithium sources to three microwave heating cycles(at approximately 1,350 K),LCO regeneration is achieved,yielding a specific capacity of 140.8 mAh g^(-1)(0.2 C)with a robust cycle *** further environmental and economic benefits,the ultrafast microwave technology holds scientific promise for directly regenerating cathode materials,while establishing competitiveness for industrial applications.

关键词： battery recycling spent lithium cobaltate microwave directly regeneration cathode materials

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Bayesian recovery of sinusoidal rough surface from scattered acoustic pressure on a linear microphone array 24

Bayesian recovery of sinusoidal rough surface from scattered...

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24th International Congress on Acoustics, ICA 2022

作者： Johnson, Michael-David Lähivaara, Timo Cuenca, Jacques Alkmim, Mansour de Ryck, Laurent Dolcetti, Giulio Krynkin, Anton Department of Mechanical Engineering The University of Sheffield Sheffield United Kingdom Department of Applied Physics University of Eastern Finland Kuopio Finland Siemens Industry Software NV Leuven Belgium Department of Civil Environmental and Mechanical Engineering University of Trento Trento Italy Department of Mechanical Engineering KU Leuven Leuven Belgium

The recovery of the properties or geometry of a rough surface from scattered sound is of interest in many applications including medicine and river flow or structural health monitoring. Both classical inversion algorithms and more recent data-driven machine learning techniques have shown great potential but are often sensitive to uncertainties. In addition, the information about the confidence in the prediction is often limited. Aiming to further the developments of the inverse techniques and account for uncertainties, a Bayesian framework is used in the present work to infer the properties of a rough surface, parameterised as a superposition of sinusoidal components. The forward model used for the inversion relies on the Kirchhoff approximation of the scattered sound above the surface of interest. The Kirchhoff approximation implies a validity region in the parameter space which is incorporated in the Bayesian formulation. This accelerates convergence while yielding solutions that have physical meaning. An implementation based on the Metropolis-Hastings algorithm is tested on both synthetic surface realisations and experimental samples produced in a laboratory setting. The robustness of the estimation in the presence of noise is evaluated. © ICA *** rights reserved

关键词： Bayesian framework Inverse scattering Kirchhoff approximation surface reconstruction

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Nitrogen Pretreatment of Growth Substrates for Vacancy-Saturated MoS2

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ACS applied Materials and Interfaces 2023年第36期15卷 42746-42752页

作者： Yao, Yu-Chi Wu, Bo-Yi Chin, Hao-Ting Yen, Zhi-Long Ting, Chu-Chi Hofmann, Mario Hsieh, Ya-Ping Institute of Atomic and Molecular Sciences Academia Sinica Taipei10617 Taiwan Department of Physics National Taiwan University Taipei10617 Taiwan Graduate Institute of Opto-Mechatronics Department of Mechanical Engineering National Chung Cheng University Chia-Yi62102 Taiwan International Graduate Program of Molecular Science and Technology National Taiwan University Taipei10617 Taiwan Molecular Science and Technology Program Taiwan International Graduate Program Academia Sinica Taipei10617 Taiwan

Two-dimensional transition-metal dichalcogenides (2D TMDCs) are considered promising materials for optoelectronics due to their unique optical and electric properties. However, their potential has been limited by the occurrence of atomic vacancies during synthesis. While post-treatment processes have demonstrated the passivation of such vacancies, they increase process complexity and affect the TMDC’s quality. We here introduce the concept of pretreatment as a facile and powerful route to solve the problem of vacancies in MoS2. Low-temperature nitridation of the sapphire substrate prior to growth provides a nondestructive method to MoS2 modification without introducing new processing steps or increasing the thermal budget. Spectroscopic characterization and atomic-resolution microscopy reveal the incorporation of nitrogen from the sapphire surface layer into chalcogen vacancies. The resulting MoS2 with nitrogen-saturated defects shows a decrease in midgap states and more intrinsic doping as confirmed by ab initio calculations and optoelectronic measurements. The demonstrated pretreatment method opens up new routes toward future, high-performance 2D electronics, as evidenced by a 3-fold reduction in contact resistance and a 10-fold improved performance of 2D photodetectors. © 2023 American Chemical Society

关键词： Molybdenum compounds

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Plasmonic BICs as Biosensors with Better Detectivity

Plasmonic BICs as Biosensors with Better Detectivity

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2023 Conference on Lasers and Electro-Optics, CLEO 2023

作者： Li, Zhichao Prasad, Ciril S. Wang, Xielin Naik, Gururaj V. Applied Physics Graduate Program Smalley-Curl Institute Rice University HoustonTX77005 United States Department of Electrical and Computer Engineering Rice University HoustonTX77005 United States

Plasmonic sensors exhibit high sensitivity due to enhanced local fields. But, their detectivity is poor because of their poor Q-factors. Using a plasmonic BIC, we experimentally demonstrate enhanced Q-factors in a pla... 详细信息

ISBN: (纸本)9781957171258

关键词： Q factor measurement

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Experimental Study of a Direct Absorption Solar Collector with Stationary Nanofluid

SSRN

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SSRN 2024年

作者： Eriksen, Agathe Bjelland Kosinski, Pawel Balakin, Boris V. Kosinska, Anna Department of Physics and Technology University of Bergen Norway Western Norway University of Applied Sciences Department of Mechanical and Marine Engineering Norway

In this study, an experimental assessment of the performance of carbon black nanofluids in a direct absorption solar collector was conducted. Unlike traditional direct absorption solar collectors, the laboratory setup in the present work utilized stationary nanofluids for solar absorption, which later heated a secondary fluid (water). This approach enabled the elimination of the need for pumping nanofluids within the system, thus reducing pumping costs and maintenance requirements. The efficiency of various nanoparticle concentrations was investigated and evaluated under identical conditions. Among the six nanofluids examined in the experimental analysis, ranging from 0.0015 to 0.05 wt.%, the most effective concentration was found to be 0.01 wt.% with a thermal enhancement of 42%, as compared to the reference distilled water values. © 2024, The Authors. All rights reserved.

关键词： Carbon black

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Influence of the Inclination Angle on Mixed Convection and Heat Transfer in a“T”Shaped Double Enclosure

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Fluid Dynamics & Materials Processing 2023年第7期19卷 1753-1774页

作者： M’Barka Mourabit Meryam Meknassi Soukaina Fekkar Soumia Mordane Hicham Rouijaa El Alami Semma Polymer Physics and Critical Phenomena Laboratory Department of PhysicsFaculty of Sciences of Ben M’SikHassanⅡUniversityCasablancaMorocco Laboratory of Control and Mechanical Characterization of Materials and Structures National Higher School of Electricity and MechanicsHassanⅡUniversityCasablancaMorocco Laboratory of Electrical Systems and Telecommunications Department of Applied PhysicsFSTHassan 1^(st)UniversitySettatMorocco Laboratory of Engineering Industrial Management and Innovation FSTHassan 1^(st)UniversitySettatMorocco

The effect of the tilt angle on mixed convection and related heat transfer in a“T”shaped double enclosure with four heated obstacles on the bottom surface is numerically *** considered obstacles are constantly kept at a relatively high(fixed)temperature,while the cavity’s upper wall is *** finite volume approach is used to solve the mass,momentum,and energy equations with the SIMPLEC algorithm being exploited to deal with the pressure-velocity *** is put on the influence of the tilt angle on the solution symmetry,flow structure,and heat exchange through the *** following parameters and related ranges are considered:Rayleigh number 104≤Ra≤5.105,tilt angle 0°≤φ≤90°,Reynolds number 100≤Re≤1000,Prandtl number Pr=0.72,block height B=0.5,opening width C=0.15,and distance between blocks D=*** results reveal different branches of solutions on varying Re andφ.They also show that the symmetry of the solution regarding the P_(2)axis is retained for all cases with no tilt and for values of Re between 100 and 1000.

关键词： Mixed convection heat transfer inclination angle “T”shaped double cavity

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One-Way Quantum Repeater with Rare-Earth-Ions Doped in Solids

arXiv

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arXiv 2024年

作者： Lei, Yisheng Department of Electrical and Computer Engineering and Applied Physics Program Northwestern University EvanstonIL60208 United States

Quantum repeaters are proposed to overcome exponential photon loss over distance in fibers. One-way quantum repeaters eliminate the need for two-way classical communications, which can potentially outperform quantum memory based quantum repeaters. I propose that rare-earth-ions doped in solids and coupled with nano-cavity can be used to generate photonic cluster state efficiently, which serve as good platforms for one-way quantum repeater nodes. In addition, I propose a multiplexed scheme of photonic tree cluster state generation with multiple quantum emitters. With less than 100 quantum emitters, secret key rates can reach the order of MHz over a few thousand kilometers. This proposal is especially useful for generating large scale photonic cluster state, which is essential for correcting operational errors during processing in quantum repeater nodes. © 2024, CC BY.

关键词： Metal ions

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Deterministic Quantum Repeater with Single Atoms in Cavities

arXiv

引用

arXiv 2024年

作者： Lei, Yisheng Department of Electrical and Computer Engineering and Applied Physics Program Northwestern University EvanstonIL60208 United States

Efficient quantum repeaters are needed to combat photon losses in fibers in future quantum networks. Single atom coupled with photonic cavity offer a great platform for photon-atom gate. Here I propose a quantum repeater scheme with deterministic entanglement generation and entanglement swapping based on photon-atom gates. It can be implemented with various types of atomic systems and require much less experimental complexity compared with other repeater protocols. With current available experimental techniques and reasonable improvements, high entanglement distribution rates can be achieved. A multiplexing configuration of 5-10 single atoms in cavities, secret key rates in order of 100s Hz to kHz can be achieved for communication distance of 1000km, and a few Hz to 10s Hz can be achieved for communication distance of 10000km with longer atomic coherence time and lower photon-atom gate error rate. This proposal paves the way to demonstrate efficient entanglement distribution with quantum repeaters in near future. © 2024, CC BY.

关键词： Atoms

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Interfacial engineering of heterostructured carbon-supported molybdenum cobalt sulfides for efficient overall water splitting

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Tungsten 2023年第4期5卷 589-597页

作者： Ming-Yue Ma Han-Zhi Yu Li-Ming Deng Lu-Qi Wang Shu-Yi Liu Hui Pan Jian-Wei Ren Maxim Yu.Maximov Feng Hu Sheng-Jie Peng College of Materials Science and Technology Nanjing University of Aeronautics and AstronauticsNanjing210016China Institute of Applied Physics and Materials Engineering University of MacaoMacao SAR519000China Department of Mechanical Engineering Science University of JohannesburgCnr Kingsway and University RoadsAuckland ParkJohannesburg2092South Africa Peter the Great Saint-Petersburg Polytechnic University 195251Saint PetersburgRussia

Constructing hetero-structured catalyst is promising but still challenging to achieve overall water splitting for hydrogen production with high ***,we developed a sulfide-based MoS_(2)/Co_(l-x)S@C hetero-structure for highly efficient electrochemical hydrogen evolution reaction(HER)and oxygen evolution reaction(OER).The carbon derived from the filter paper acts as a conducting carrier to ensure adequate exposure of the active sites guaranteed with improved catalytic *** unique hierarchical nano-sheets facilitate the charge and ion transfer by shortening the diffusion path during ***,the robust hetero-interfaces in MoS_(2)/Co_(1-x)S@C can expose rich electrochemical active sites and facilitate the charge transfer,which further cooperates synergistically toward electro-catalytic ***,the optimal MoS_(2)/Co_(1-x)S@C hetero-structures present small over-potentials toward HER(135 mV@10 mA·cm^(-2))and OER(230 mV@10 mA·cm^(-2)).The MoS_(2)/Co_(1-x)S@C electrolyzer requires an ultralow voltage of 1.6 V at the current density of 10 mA·cm^(-2)with excellent durability,outperforming the state-of-the-art *** work sheds light on the design of the hetero-structured catalysts with interfacial engineering toward large-scale water splitting.

关键词： Overall water splitting Composite Pyrolysis Interface regulation Molybdenum cobalt sulfides

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