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Surface reconstruction establishing Mott-Schottky heterojunction and built-in space-charging effect accelerating oxygen evolution reaction

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Nano Research 2022年第4期15卷 2952-2960页

作者： Yao Kang Shuo Wang Kwan San Hui Shuxing Wu Duc Anh Dinh Xi Fan Feng Bin Fuming Chen Jianxin Geng Weng-Chon(Max)Cheong Kwun Nam Hui Joint Key Laboratory of the Ministry of Education Institute of Applied Physics and Materials EngineeringUniversity of MacaoTaipaMacao 999078China Engineering Faculty of ScienceUniversity of East AngliaNorwich NR47TJUK School of Chemical Engineering and Light Industry Guangdong University of TechnologyGuangzhou 510006China NTT hi-tech institute Nguyen Tat Thanh universityHo Chi Minh city 700000Vietnam Ningbo Institute of Materials Technology EngineeringChinese Academy of SciencesNingbo 315201China State Key Laboratory of High-Temperature Gas Dynamics Institute of MechanicsChinese Academy of ScienceBeijing 100190China State Key Laboratory of Optic Information Physics and Technologies School of Physics and Telecommunication EngineeringSouth China Normal UniversityGuangzhou 510006China State Key Laboratory of Organic-Inorganic Composites Beijing University of Chemical Technology15 North Third Ring East RoadChaoyang DistrictBeijing 100029China Department of Physics and Chemistry Faculty of Science and TechnologyUniversity of MacaoTaipaMacao 999078China

Structural reconstruction of nanomaterials offers a fantastic way to regulate the electronic structure of active sites and promote their catalytic ***,how to properly facilitate surface reconstruction to overcome large overpotential that stimulate the surface reconstruction has remained ***,we adopt a facile approach to activate surface reconstruction on Ni(OH)_(2) by incorporating F anions to achieve electro-derived structural oxidation process and further boost its oxygen evolution reaction(OER)*** situ Raman and X-ray photoemission spectroscopy studies indicate that F ions incorporation facilitated surface reconstruction and promotes the original Ni(OH)_(2)transformed into a mesoporous and amorphous F-NiOOH layer during the electrochemical *** functional theory(DFT)calculation reveals that this self-reconstructed NiOOH induces a space-charge effect on the p-n junction interface,which not only promotes the absorption of intermediates species(^(*)OH,^(*)O,and^(*)OOH)and charge-transfer process during catalysis,but also leads to a strong interaction of the p-n junction interface to stabilize the *** work opens up a new possibility to regulate the electronic structure of active sites and promote their catalytic activities.

关键词： F anions dynamic migration nickel hydroxides surface reconstruction oxygen evolution reaction(OER)

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Gaussian Process Port-Hamiltonian Systems: Bayesian Learning with Physics Prior

arXiv

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arXiv 2023年

作者： Beckers, Thomas Seidman, Jacob Perdikaris, Paris Pappas, George J. Department of Electrical and Systems Engineering University of Pennsylvania PhiladelphiaPA19104 United States graduate program in Applied Mathematics and Computational Science University of Pennsylvania PhiladelphiaPA19104 United States Department of Mechanical Engineering and Applied Mechanics University of Pennsylvania PhiladelphiaPA19104 United States

Data-driven approaches achieve remarkable results for the modeling of complex dynamics based on collected data. However, these models often neglect basic physical principles which determine the behavior of any real-world system. This omission is unfavorable in two ways: The models are not as data-efficient as they could be by incorporating physical prior knowledge, and the model itself might not be physically correct. We propose Gaussian Process Port-Hamiltonian systems (GP-PHS) as a physics-informed Bayesian learning approach with uncertainty quantification. The Bayesian nature of GP-PHS uses collected data to form a distribution over all possible Hamiltonians instead of a single point estimate. Due to the underlying physics model, a GP-PHS generates passive systems with respect to designated inputs and outputs. Further, the proposed approach preserves the compositional nature of Port-Hamiltonian systems. © 2023, CC BY-NC-ND.

关键词： Hamiltonians

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Magnetron Sputtered High Entropy Alloy/Amorphous Carbon Nanocomposite Coatings

SSRN

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SSRN 2023年

作者： Medina, León Zendejas de Costa, Marcus Vinícius Tavares Donzel-Gargand, Olivier Nyholm, Leif Gamstedt, E. Kristofer Jansson, Ulf Uppsala University Department of Chemistry Ångström Laboratory UppsalaSE-751 21 Sweden Karlstad University Department of Engineering and Chemical Sciences KarlstadSE-651 88 Sweden Uppsala University Division of Solar Cell Technology Department of Materials Science and Engineering UppsalaSE-75121 Sweden Uppsala University Division of Applied Mechanics Department of Materials Science and Engineering UppsalaSE-751 21 Sweden

Magnetron sputter deposition of metal/carbon nanocomposites has been explored for many metals and a few alloys. In this paper, the formation of nanocomposites based on complex high entropy alloys (HEAs) was explored, focusing on the effect of the average carbon affinity on the phase formation. Two HEA systems were compared: CoCrFeMnNi and Cr26Fe27Ni27Ta20. For each alloy, around 20-50 at% carbon was added through combinatorial co-sputtering. Thermodynamic calculations predicted decomposition of these materials into multiple alloy phases, metal carbides, and, at higher concentrations, free graphitic carbon. Free carbon was found in the coatings at carbon concentrations above 28 and 33 at% for the CoCrFeMnNi and Cr26Fe27Ni27Ta20 systems, respectively, which agreed with the theoretical predictions. However, the segregation of metallic elements and the formation of crystalline carbides were suppressed by the rapid quenching during deposition. All coatings were, instead, amorphous and consisted of either a single metallic phase or a mixture of a metallic phase and sp2- and sp3-hybridized carbon. Mechanical and electrochemical tests were performed, including in-situ fragmentation tests to quantify the crack resistance. The presence of free carbon made the coatings softer than the corresponding single-phase materials. Under tensile strain, the nanocomposite coatings formed a larger number of narrower cracks and exhibited less delamination at high strains. © 2023, The Authors. All rights reserved.

关键词： Nanocomposites

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Observation of diamagnetic strange-metal phase in sulfur-copper codoped lead apatite

arXiv

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arXiv 2024年

作者： Wang, Hongyang Wu, Hao Chen, Ning Qiao, Xianfeng Wang, Ling Wu, Zhixing Geng, Zhihui Xue, Weiwei Ye, Shufeng Yao, Yao Center of Materials Science and Optoelectronics Engineering Institute of Process Engineering Chinese Academy of Sciences Beijing100049 China School of Materials Science and Engineering Huazhong University of Science and Technology Wuhan430074 China School of Materials Science and Engineering University of Science and Technology Beijing Beijing100083 China State Key Laboratory of Luminescent Materials and Devices South China University of Technology Guangzhou510640 China Beijing Key Laboratory of Ionic Liquids Clean Process Institute of Process Engineering Chinese Academy of Sciences Beijing100190 China Fujian Provincial Key Laboratory of Analysis and Detection Technology for Food safety College of Chemistry Fuzhou University Fuzhou350108 China School of Engineering Course of Applied Science Tokai University Hiratsuka2591292 Japan CAS Key Laboratory of Mechanical Behavior and Design of Materials Department of Modern Mechanics University of Science and Technology of China Hefei230027 China Department of Physics South China University of Technology Guangzhou510640 China

By codoping sulfur and copper into lead apatite, the crystal grains are directionally stacked and the room-temperature resistivity is reduced from insulating to 2 × 10−5 Ω·m. The resistance-temperature curve exhibits a nearly linear relationship at low temperature suggesting the presence of strange-metal phase, and a second-order phase transition is then observed at around 230 K during cooling the samples. A possible Meissner effect is present in dc magnetic measurements. Further hydrothermal lead-free synthesis results in smaller resistance and stronger diamagnetism, demonstrating the essential component might be sulfur-substituted copper apatite and the alkalis matter as well. A clear pathway towards superconductivity in this material is subsequently benchmarked. Copyright © 2024, The Authors. All rights reserved.

关键词： Copper

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CsPbBr3 perovskite quantum-dot paper exhibiting a highest 3 dB bandwidth and realizing a flexible white-light system for visible-light communication

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Photonics Research 2021年第12期9卷 2341-2350页

作者： KONTHOUJAM JAMES SINGH XIAOTONG FAN ANNADA SANKAR SADHU CHUN-HO LIN FANG-JYUN LIOU TINGZHU WU YU-JUNG LU JR-HAU HE ZHONG CHEN TOM WU HAO-CHUNG KUO Department of Photonics&Institute of Electro-Optical Engineering College of Electrical and Computer EngineeringNational Yang Ming Chiao Tung UniversityHsinchu 30010Taiwan International Ph.D.Program in Photonics(UST) College of Electrical and Computer EngineeringNational Yang Ming Chiao Tung UniversityHsinchu 30010Taiwan Department of Electronic Science Fujian Engineering Research Center for Solid-State LightingXiamen UniversityXiamen 361005China School of Materials Science and Engineering University of New South WalesSydneyNSW 2052Australia Research Center for Applied Sciences Academia SinicaTaipei 11529Taiwan Department of Materials Science and Engineering City University of Hong KongKowloon TongHong KongChina

We propose a flexible white-light system for high-speed visible-light communication(VLC)applications,which consists of a semipolar blue InGaN/GaN single-quantum-well micro-light-emitting diode(LED)on a flexible substrate pumping green CsPbBr3 perovskite quantum-dot(PQD)paper in nanostructure form and red CdSe QD *** highest bandwidth for CsPbBr3 PQD paper,229 MHz,is achieved with a blue micro-LED pumping source and a high data transmission rate of 400 Mbps;this is very promising for VLC *** 817 MHz maximum bandwidth and a 1.5 Gbps transmission speed are attained by the proposed semipolar blue *** proposed flexible white light system and the high-bandwidth PQD paper could pave the way for VLC wearable devices.

关键词： pumping communication quantum

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Identiﬁcation of lead-free Rb2AgBiX6 (X=Cl, Br, I) double halide perovskites for promising photovoltaic applications: First-principles investigations

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Physica B: Condensed Matter 2024年 695卷

作者： Rehman, Muhammad Awais Rehman, Zia Ur Usman, Muhammad Bano, N. Riaz, Muhammad Ali, Syed Mansoor Farid, Ahsan Institute of Physics University of Silesia ul 75 Pulku Piechoty 1 Chorzów41-500 Poland Department of Mathematics Namal University 30km Talagang Road Mianwali42250 Pakistan Department of Applied Mechanics School of Mathematics and Physics University of Science and Technology Beijing Beijing100083 China Department of Physics and Astronomy College of Science King Saud University P.O. BOX 2455 Riyadh11451 Saudi Arabia Institute of Physics The Islamia University of Bahawalpur 63100 Pakistan Department of Materials Physics and Chemistry School of Materials Science and Engineering University of Science and Technology Beijing Beijing100083 China

This study examines double halide perovskites Rb2AgBiX6 (X = Cl, Br, I) using first-principles calculations, revealing their potential for various applications. The compounds demonstrate mechanical and thermodynamic stability, with lattice parameters aligning closely with previous reports. These semiconducting materials exhibit energy band gaps of 1.72, 1.27, and 0.82 eV for Cl, Br, and I variants, respectively. Their optical properties show maximum absorption between 2.50 and 3.50 eV, with refractive indices of 2.00–2.50 eV. Mechanically, they display high Young's moduli (78.3–82.6 GPa) and ductile characteristics. The photovoltaic properties, including the Shockley-Queisser limit efficiency (SLME), calculated for a thickness range of 10−2 μm–102 μm, yield promising values of 26.04 %, 30.87 %, and 24.57 % for Rb2AgBiCl6, Rb2AgBiBr6, and Rb2AgBiI6, respectively, showcasing their favorable properties for photovoltaic applications. © 2024

关键词： Chlorine compounds

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Highly Sensitive and Stable Non-Enzymatic Glucose Sensing Based on Nanostructure-Gated Organic Electrochemical Transistors with Self-Ph Calibration

SSRN

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SSRN 2025年

作者： Cheng, Huanyu Meng, Ke Zhu, Jia Zhang, Tianyao Zhang, Xianzhe Zhang, Yingying Chen, Xiangjie Li, Fan Tong, Yao Zhang, Senhao Qiu, Donghai Yang, Hongbo Liu, Shangbin Yin, Lan Zhao, Rui Huang, Libin Li, Tao Gao, Min Pan, Taisong Yang, Jian Lin, Yuan State Key Laboratory of Biotherapy and Cancer Center China School of Material and Energy University of Electronic Science and Technology of China Chengdu610054 China University of Electronics Science and Technology of China Quzhou324000 China Department of Engineering Science and Mechanics The Pennsylvania State University University ParkPA16802 United States Suzhou Institute of Biomedical Engineering and Technology Chinese Academy of Science Suzhou215011 China School of Materials Science and Engineering Tsinghua University Beijing100084 China Department of Gastroenterology West China Hospital Sichuan University Chengdu610041 China Research Center for Industries of the Future Biomedical Engineering Program School of Engineering Westlake University Zhejiang Hangzhou310030 China Medico-Engineering Cooperation on Applied Medicine Research Center University of Electronics Science and Technology of China Chengdu610054 China

Non-invasive, real-time, and continuous monitoring of the trace amount of glucose in near-neutral biofluids is significant for the daily care and treatment of diabetic patients or people with suboptimal health status. Despite improved sensing performance with novel low-dimensional materials or porous structures in various enzymatic and non-enzymatic electrochemical glucose sensors, they still suffer from high cost, poor long-term stability, and performance fluctuations in varied temperature and pH. This work synergistically combines an Au-modified porous laser-induced graphene (LIG) gate electrode with an organic electrochemical transistor (OECT) to create a flexible non-enzymatic glucose sensor. The resulting OECT-based non-enzymatic glucose sensor exhibits significantly enhanced sensitivity in near-neutral biofluids, the limit of detection (LOD) (0.08 μM in pH=7.4), excellent stability over time (degradation of ~10% in 180 days) and against temperature changes (30 °C - 40 °C), self-pH calibration capabilities, and uncompromised sensing performance with shrinking sizes. The highly consistent laser patterning technique and in situ galvanic reduction process for electrode modifications not only provide a simple yet versatile approach to creating low-cost, compact sensing platforms for precise and real-time sweat glucose measurements, but also support scalable production, allowing the correlation study of key biomarkers in sweat and blood. © 2025, The Authors. All rights reserved.

关键词： Coated wire electrodes

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Investigation on cutting fluid use in finish milling of polylactide (PLA) 3D-printed parts 20

Investigation on cutting fluid use in finish milling of poly...

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20th CIRP Conference on Modeling of Machining Operations in Mons, CIRP CMMO 2025

作者： Lorenzoni, Margaux Spitaels, Laurent Rivière-Lorphèvre, Edouard Odent, Jérémy M'Saoubi, Rachid Cloëz, Liam Fontaine, Michaël Ducobu, François Machine Design and Production Engineering Lab Research Institute for Materials Science and Engineering University of Mons Place du Parc 20 Mons7000 Belgium University of Mons Place du Parc 20 Mons7000 Belgium R&D Material and Technology Development Seco Tools AB Björnbacksvägen 2 FagerstaSE-737 82 Sweden Department of Mechanical Engineering Sciences Division of Production and Materials Engineering Lund University Ole Römers väg 1 LundSE-221 00 Sweden FEMTO-ST Institute-Applied Mechanics Dept. Université de Franche-Comté-SUPMICROTECH-CNRS Rue de l'épitaphe 24 BesançonF-25000 France

Fused Filament Fabrication (FFF) is an additive manufacturing process based on Material Extrusion (MEX) of polymeric filament. This manufacturing technology is commonly used for personalized production applications and prototyping, allowing to obtain customized parts with complex geometries at a low cost. However, this production technique has its limitations regarding dimensional accuracy and surface roughness of the final parts. To overcome these limitations, finish milling is considered to be a promising technique as it is widely used for metallic parts. Yet, the specific thermal properties of polymers such as low thermal conductivity and low melting temperature are adding a challenge in the determination of optimal cutting conditions. In this context, the use of cutting fluid could be the key to keep the material from melting during milling. Therefore, this paper proposes to compare the impact of using a compressed air flow to dry conditions on the cutting forces and the surface quality obtained on 3D-printed polylactide (PLA) parts. The qualification test of the tool-material couple standard (NF E 66-520-6) will be used as a guideline to determine the relevance of cutting fluid use for cutting conditions varying around an operating point. Moreover, simulated cutting forces using a mechanistic model will be compared to experimental data to evaluate the applicability of the model. © 2025 The Authors.

关键词： Compressed air

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Multiphysics simulations of microstructure influence on hysteresis and eddy current losses of electrical steel

arXiv

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arXiv 2025年

作者： Kühn, Patrick Yang, Yangyiwei Chen, Guanyu Foster, Shanelle N. Egger, Herbert Xu, Bai-Xiang Mechanics of Functional Materials Division Institute of Materials Science Technische Universität Darmstadt Darmstadt64287 Germany Department of Electrical and Computer Engineering Michigan State University MI48824 United States Johann Radon Institute for Computational and Applied Mathematics Linz Austria Institute for Numerical Mathematics Johannes Kepler University Linz Austria

Improving efficiency of electrical machines requires fundamental knowledge on the mechanisms behind magnetic and eddy current losses of the magnetic core materials, with Fe-Si alloy as a prototype. These losses are intrinsically influenced by the microstructure of the materials. This necessitates physics-based, microstructure-informed multiscale simulations. In the present paper, we utilised micromagnetic simulations and computational homogenization methods to calculate the effective hysteresis and effective conductivities of Fe-Si electrical steels. To demonstrate the methodology, binder-jet printed electrical steel material samples with different microstructure were investigated. The microstructure samples were digitized based on both the descriptor-based synthetic reconstruction and SEM-image-based digitization. More samples were generated with varying microstructure features such as grain size and grain boundary phases. The micromagnetic simulations were then performed to investigate the magnetic hysteresis and hysteresis loss. The eddy current loss was also evaluated by using the effective conductivity through computational homogenization. By performing parameter research on a series of synthetic microstructures, effects of average grain size and grain boundary (GB) phase thickness on the hysteresis loss and eddy current loss were unveiled. An average grain size around 120 µm has the lowest hysteresis loss, although the eddy current loss increases with the grain size. Increasing GB-phase thickness helps reduce both losses. Results indicate the potential to decrease loss of magnetic core materials by microstructure optimization. © 2025, CC BY.

关键词： Silicon alloys

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Three-dimensional construction of hyperuniform, nonhyperuniform, and antihyperuniform disordered heterogeneous materials and their transport properties via spectral density functions

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Physical Review E 2025年第3期111卷 035310-035310页

作者： Wenlong Shi Yang Jiao Salvatore Torquato Materials Science and Engineering Arizona State University Tempe Arizona 85287 USA Department of Physics Arizona State University Tempe Arizona 85287 USA Department of Chemistry Princeton University Princeton New Jersey 08544 USA Department of Physics Princeton University Princeton New Jersey 08544 USA Princeton Institute of Materials Princeton University Princeton New Jersey 08544 USA Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08544 USA

Rigorous theories connecting physical properties of a heterogeneous material to its microstructure offer a promising avenue to guide the computational material design and optimization. The spectral density function χ̃V(k), which can be obtained experimentally from scattering data, enables accurate determination of various transport and wave propagation characteristics, including the time-dependent diffusion spreadability S(t) and effective dynamic dielectric constant εe for electromagnetic wave propagation. Moreover, χ̃V(k) determines rigorous upper bounds on the fluid permeability K. Given the importance of χ̃V(k), we present here an efficient Fourier-space based computational framework to construct three-dimensional (3D) statistically isotropic two-phase heterogeneous materials corresponding to targeted spectral density functions. In particular, we employ a variety of analytical functional forms for χ̃V(k) that satisfy all known necessary conditions to construct disordered stealthy hyperuniform, standard hyperuniform, nonhyperuniform, and antihyperuniform two-phase heterogeneous material systems at varying phase volume fractions. We show that by tuning the correlations in the system across length scales via the targeted functions, one can generate a rich spectrum of distinct structures within each of the above classes of materials. Importantly, we present the first realization of antihyperuniform two-phase heterogeneous materials in 3D, which are characterized by autocovariance function χV(r) with a power-law tail, resulting in microstructures that contain clusters of dramatically different sizes and morphologies. We also determine the diffusion spreadability S(t) and estimate the fluid permeability K associated with all of the constructed materials directly from the corresponding spectral densities. Although it is well established that the long-time asymptotic scaling behavior of S(t) only depends on the functional form of χ̃V(k), with the stealthy hyperuniform a

关键词： Spectral density

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