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Endotaxial Polytype engineering: Enhancement of Incommensurate Charge Density Waves in TaS2

Microscopy and microanalysis : the official journal of Microscopy Society of America, Microbeam Analysis Society, Microscopical Society of Canada 2023年第1期29卷 1646-1647页

作者： Sung, Suk Hyun Kezer, Pat Agarwal, Nishkarsh Goh, Yin Min Schnitzer, Noah Baggari, Ismail El Sun, Kai Kourkoutis, Lena F. Heron, John T. Hovden, Robert Department of Materials Science and Engineering University of Michigan Ann Arbor MI United States Department of Physics University of Michigan Ann Arbor MI United States Department of Materials Science and Engineering Cornell University Ithaca NY United States Rowland Institute at Harvard University Cambridge MA United States Kavli Institute at Cornell for Nanoscale Science Ithaca NY United States School of Applied and Engineering Physics Cornell University Ithaca NY United States Applied Physics Program University of Michigan Ann Arbor MI United States

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Renewable energy application of pulsed laser annealing perovskite quantum dots materials

Renewable energy application of pulsed laser annealing perov...

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Nanoscale and Quantum materials: From Synthesis and Laser Processing to Applications 2025

作者： Lin, Yen-Ting Hsieh, Jui-Ting Tsai, Meng-Lin Yang, Chan-Shan Institute and Undergraduate Program of Electro-Optical Engineering National Taiwan Normal University Taipei Taiwan Department of Materials Science and Engineering National Taiwan University of Science and Technology Taipei Taiwan Micro/Nano Device Inspection and Research Center National Taiwan Normal University Taiwan Applied High Entropy Technology Center National Cheng Kung University Tainan Taiwan

ISBN: (纸本)9781510684522

With the advancement of the global economy and technology, energy demand has become an urgent issue, prompting heightened attention to environmental friendliness and sustainable development. Solar energy, as a significant renewable resource, has garnered widespread attention despite facing challenges in conversion efficiency. Perovskite materials, due to their cubic crystal structure exhibiting excellent optoelectronic properties and a broad spectrum response, along with low manufacturing costs, have emerged as a recent research focus. These materials have shown remarkable potential in solar cells, light-emitting devices, and photodetectors, offering high efficiency, tunable bandgaps, and scalable fabrication processes. This study enhances the optical performance and stability of perovskite quantum dots through femtosecond pulse laser annealing technology, thereby improving their quantum yield. Advanced optical systems are employed for analysis, fully leveraging the advantages of perovskite materials in photovoltaic conversion. This research not only provides foundational solutions to pressing energy challenges but also promotes the transition of society towards cleaner and more sustainable energy technologies. Moreover, it contributes to the advancement of more efficient solar technologies, promoting innovation and development in future energy sources, and effectively reducing dependence on non-renewable energy. This is of significant importance for environmental protection, ensuring a better living environment for the future generations. © 2025 SPIE.

关键词： Nanocrystals

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Impacts of anisotropy coefficient and porosity on the thermal conductivity and P-wave velocity of calcarenites used as building materials of historical monuments in Morocco

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Journal of Rock mechanics and Geotechnical engineering 2023年第7期15卷 1687-1699页

作者： Abdelaali Rahmouni Abderrahim Boulanouar Younes El Rhaffari Mohammed Hraita Aziz Zaroual Yves Géraud Jamal Sebbani Abdellah Rezzouk Bassem S.Nabawy Laboratory of Solid State Physics Department of PhysicsFaculty of Science Dhar El MahrazSidi Mohamed Ben Abdellah UniversityFezMorocco Laboratory of Applied Sciences National School of Applied SciencesAbdelmalek Essaadi UniversityAl HoceimaMorocco Laboratory of Civil Engineering and Environment Higher School of Technology of SaléMohammed V UniversityRabatMorocco Department of Physics Higher Normal SchoolMohammed V UniversityRabatMorocco Laboratory of Materials Nanotechnologies and EnvironmentFaculty of ScienceMohammed V UniversityRabatMorocco University of Lorraine ENSGUMR 7359-GeoRessourcesNancyFrance Mechanics and Materials Team Faculty of ScienceMohammed V UniversityRabatMorocco Geophysical Sciences Department National Research CentreCairoEgypt

It is essential to study the porosity,thermal conductivity,and P-wave velocity of calcarenites,as well as the anisotropy coefficients of the thermal conductivity and P-wave velocity,for civil engineering,and conservation and restoration of historical *** study focuses on measuring the thermal conductivity using the thermal conductivity scanning(TCS)technique and measuring the P-wave ve-locity using portable *** was applied for some dry and saturated calcarenite samples in the horizontal and vertical directions(parallel and perpendicular to the bedding plane,respectively).The calcarenites were selected from some historical monuments in *** physical properties were measured in the laboratory to find a reliable relationship between all of these *** a result of the statistical analysis of the obtained data,excellent linear relationships were observed between the porosity and both the thermal conductivity and *** relationships are characterized by relatively high coefficients of determination for the horizontal and vertical *** on the thermal conductivity and P-wave velocity values in these two directions,the anisotropy coefficients of these two properties were *** internal structure and the pore fabric of the calcarenite samples were delineated using scanning electron microscopy(SEM),while their chemical and mineral compositions were studied using the energy dispersive X-ray analysis(EDXA)and X-ray diffraction(XRD)techniques.

关键词： Moroccan historical monuments Calcarenite Thermal conductivity P-wave velocity Porosity Anisotropy coefficient Water saturation

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3D Magnetization Reconstruction for Lorentz Microscopy using Differential programming

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Microscopy and microanalysis : the official journal of Microscopy Society of America, Microbeam Analysis Society, Microscopical Society of Canada 2023年第1期29卷 1756-1757页

作者： McCray, Arthur R C Cherukara, Mathew Petford-Long, Amanda K. Phatak, Charudatta Materials Science Division Argonne National Laboratory Lemont IL United States Applied Physics Program Northwestern University Evanston IL United States Advanced Photon Source Argonne National Laboratory Lemont IL United States Department of Materials Science and Engineering Northwestern University Evanston IL United States

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engineering dimensionality of collective dipole-dipole interactions using a nanophotonic environment

Engineering dimensionality of collective dipole-dipole inter...

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2023 Conference on Lasers and Electro-Optics, CLEO 2023

作者： Boddeti, Ashwin K. Wang, Yi Juarez, Xitlali Boltasseva, Alexandra Alaeian, Hadiseh Odom, Teri W. Jacob, Zubin Elmore Family School of Electrical and Computer Engineering Birck Nanotechnology Center Purdue University West LafayetteIN47907 United States Graduate Program in Applied Physics Northwestern University EvanstonIL60208 United States Department of Materials Science and Engineering Northwestern University EvanstonIL60208 United States Department of Chemistry Department of Materials Science and Engineering Northwestern University EvanstonIL60208 United States

ISBN: (纸本)9781957171258

We experimentally demonstrate reduced dimensionality in a interacting ensemble of emitters. The well-known stretched exponential decay dynamics, (Equation presented) with β = 0.5 in 3D geometries, is strikingly modified in a nanophotonic environment that supports long-range interaction to β ~ 0.3. © Optica Publishing Group 2023.

关键词： Nanophotonics

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Accuracy of DFT computed oxygen-vacancy formation energies and high-throughput search of solar thermochemical water-splitting compounds

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Physical Review materials 2023年第6期7卷 065403-065403页

作者： Bianca Baldassarri Jiangang He Xin Qian Emanuela Mastronardo Sean Griesemer Sossina M. Haile Christopher Wolverton Graduate Program in Applied Physics Northwestern University Evanston Illinois USA Department of Materials Science and Engineering Northwestern University Evanston Illinois USA

The enthalpy change involved in metal oxide reduction is a key quantity in various processes related to energy conversion and storage and is of particular interest for computational prediction. Often this prediction involves the simulation of a high-temperature reduction process with a 0-K methodology like density functional theory (DFT), and it is not infrequent for the high temperature and 0-K stable crystal structures to differ. This introduces a conundrum with regard to the choice of crystal structure to utilize in the computation, with approaches in the literature varying and experimental validation remaining scarce. In this work, we address both the crystal structure conundrum and the experimental validation, and then apply the insights we gain to guide a high-throughput search for new materials for solar thermochemical water-splitting applications. By computing the DFT+U oxygen-vacancy formation energy (ΔEvf) of a selection of ABO3 compounds and comparing different crystal structures for each composition, we highlight the issues that arise when the structure utilized in the computation is dynamically unstable at 0 K, namely the presence of an artificial lowering of ΔEvf, and the lack of convergence of ΔEvf with cell size. We solve these limitations by identifying and employing a suitable surrogate dynamically stable structure. We then validate the predictive power of our calculations against appositely generated experimental measurements of reduction enthalpy for a series of Hubbard U values, finding an accuracy ranging between 0.2–0.6 eV/O. In light of such conclusions, we revise and expand a previous a high-throughput DFT study on ABO3 perovskite oxides. We provide a list of candidate STCH materials, highlight trends with redox-active cation and structural distortion, and identify Mn4+, Mn3+, and Co3+ as the most promising redox-active cations.

关键词： Energy applications First-principles calculations Hydrogen energy

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Magnetoelastic coupling driven magnon gap in a honeycomb antiferromagnet

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Physical Review B 2024年第10期110卷 104419页

作者： Jeongheon Choe Andrey Baydin Gaihua Ye Bowen Ma Cynthia Nnokwe Martin Rodriguez-Vega David Lujan Swati Chaudhary Fuyang Tay Jiaming He Hiroyuki Nojiri Jianshi Zhou Gregory A. Fiete Junichiro Kono Rui He Xiaoqin Li Department of Physics Center of Complex Quantum Systems Center for Dynamics and Control of Materials Department of Electrical and Computer Engineering Smalley–Curl Institute Department of Physics Applied Physics Graduate Program Smalley–Curl Institute Department of Mechanical Engineering Institute for Materials Research Department of Physics and Astronomy Department of Materials Science and NanoEngineering

Cobalt titanate, CoTiO3, is a honeycomb antiferromagnet recently confirmed experimentally to host Dirac magnons, topological spin-orbit excitons, and chiral phonons. Here, we investigate a magnon gap at the zone center which calls for a refined spin Hamiltonian. We propose a microscopic model for the magnon gap and attribute it to a lattice-distortion (phonon)-induced higher-order spin interaction. Strong magnetoelastic coupling in CoTiO3 is also evident in Raman spectra, in which the magnetic order exerts a stronger influence on phonons corresponding to in-plane ionic motions than those with out-of-plane motions. We further examine the evolution of the zone-center magnons in a high magnetic field up to 18.5 T via THz absorption spectroscopy measurements. Based on this field dependence, we propose a spin Hamiltonian that not only agrees with magnon dispersion measured by inelastic neutron scattering but also includes fewer exchange constants and a realistic anisotropy term. Our work highlights the broad implications of magnetoelastic coupling in the study of topologically protected bosonic excitations.

关键词： Magnetism Magnons Topological materials Raman spectroscopy Terahertz spectroscopy

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Multi-objective parametrization of interatomic potentials for large deformation pathways and fracture of two-dimensional materials

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npj Computational materials 2021年第1期7卷 1042-1052页

作者： Xu Zhang Hoang Nguyen Jeffrey T.Paci Subramanian K.R.S.Sankaranarayanan Jose L.Mendoza-Cortes Horacio D.Espinosa Theoretical and Applied Mechanics Program Northwestern UniversityEvanstonILUSA Department of Chemistry University of VictoriaVictoriaBCCanada Center for Nanoscale Materials Argonne National LaboratoryLemontILUSA Department of Chemical Engineering&Materials Science Michigan State UniversityEast LansingMIUSA Department of Mechanical Engineering Northwestern UniversityEvanstonILUSA

This investigation presents a generally applicable framework for parameterizing interatomic potentials to accurately capture large deformation *** incorporates a multi-objective genetic algorithm,training and screening property sets,and correlation and principal component *** framework enables iterative definition of properties in the training and screening sets,guided by correlation relationships between properties,aiming to achieve optimal parametrizations for properties of ***,the performance of increasingly complex potentials,Buckingham,Stillinger-Weber,Tersoff,and modified reactive empirical bond-order potentials are *** MoSe_(2)as a case study,we demonstrate good reproducibility of training/screening properties and superior *** MoSe_(2),the best performance is achieved using the Tersoff potential,which is ascribed to its apparent higher flexibility embedded in its functional *** results should facilitate the selection and parametrization of interatomic potentials for exploring mechanical and phononic properties of a large library of two-dimensional and bulk materials.

关键词： materials apparent enable

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Elevated temperature-driven coordinative reconstruction of an unsaturated single-Ni-atom structure with low valency on a polymer-derived matrix for the electrolytic oxygen evolution reaction

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Nanoscale 2024年第15期16卷 7467-7479页

作者： Patil, Rahul Rajput, Anubha Matsagar, Babasaheb M. Chen, Norman C. R. Ujihara, Masaki Salunkhe, Rahul R. Yadav, Praveen Wu, Kevin C.-W. Chakraborty, Biswarup Dutta, Saikat Electrochemical Energy & Sensor Research Laboratory Amity Institute of Click Chemistry Research & Studies Amity University Noida India Department of Chemistry Indian Institute of Technology New Delhi India Department of Chemical Engineering National Taiwan University Taipei10617 Taiwan Molecular Science and Technology Program Taiwan International Graduate Program Academia Sinica Taiwan National Taiwan University Taiwan Graduate Institute of Applied Science and Technology National Taiwan University of Science and Technology Taipei Taiwan Materials Research Laboratory Department of Physics Indian Institute of Technology Jammu India Synchrotron X-ray Facility Raja Ramanna Centre for Advanced Technology Rajendra Nagar Madhya Pradesh 452013 Indore India

A high-temperature pyrolysis-controlled coordination reconstruction resulted in a single-Ni-atom structure with a Ni-Nx-C structural unit (x = N atom coordinated to Ni). Pyrolysis of Ni-phen@ZIF-8-RF at 700 °C resulted in NiNP-NC-700 with predominantly Ni nanoparticles. Upon elevating the pyrolysis temperature from 700 to 900 °C, a coordination reconstruction offers Ni-Nx atomic sites in NiSA-NC-900. A combined investigation with X-ray absorption spectroscopy, X-ray photoelectron spectroscopy, and soft X-ray L3-edge spectroscopy suggests the stabilization of low-valent Niδ+ (0 −2 was achieved. The cell potential recorded with Pt(−)/(+)NiSA-NC-900/NF was much lower than that obtained for other cells, i.e., Pt(−)/NF and NF(−)/(+)NF, which enhances the potentials of low-valent NiSAs for insightful understanding of the OER. At a constant applied potential of 1.61 V (vs. RHE) for 12 h, an small increase in current for initial 0.6 h followed by a constant current depicts the fair stability of catalyst for 12 h. Our results offer an insightful angle into the OER with a coordinatively reconstructed single-Ni-atom structure at lower valency ( © 2024 The Royal Society of Chemistry.

关键词： Reaction kinetics

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Graphene-functionalized textile composites for wearable Joule heating applications

Advanced Nanocomposites

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Advanced Nanocomposites 2025年 2卷 108-123页

作者： Omar Faruk Abbas Ahmed Ashfaqul Hoque Khadem Lu Jia Luyi Sun Department of Materials Science and Engineering Binghamton University State University of New York at Binghamton NY 13902 USA Polymer Program Institute of Materials Science and Department of Chemical & Biomolecular Engineering University of Connecticut Storrs CT 06269 USA Department Mechanical Engineering College of Engineering Computing and Applied Science Clemson University Clemson SC 29634 USA College of Textile Engineering Taiyuan University of Technology Jinzhong Shanxi 030600 China

Thermal comfort is essential for maintaining physiological well-being, with textile materials traditionally serving as the primary medium for regulating heat exchange between the body and its environment. However, conventional textiles often fall short of maintaining optimal thermal balance. So, there is an increasing demand for advanced thermoregulation systems that can effectively reduce heat loss and enhance warmth, ensuring consistent comfort. Recent research has highlighted the promise of advanced functional materials, especially graphene and its composites, for modifying textiles to improve thermal properties. This article comprehensively reviews recent advancements in graphene-functionalized textile composites, focusing on their applications in wearable Joule heaters designed for personalized thermal comfort or thermal therapy. Various graphene-functionalized textile composites are reviewed from the perspectives of material properties, processing strategies and device fabrication methods. Key challenges and future opportunities are summarized for graphene-functionalized textile-based Joule heaters as innovative solutions in wearable thermal regulation.

关键词： Graphene Textile Composite Wearable electronics Joule heater

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