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SSRN 2023年

作者： de Carvalho, Júlio F.S. Monção, Renan M. de Sousa, Ediones M. da Luz Lima, Cleânio Costa, Carla L.S.C. Garcia, Ramón R.P. Feitor, Michelle C. de Carvalho Costa, Thércio H. Libório, Maxwell S. de Sousa, Rômulo R.M. Federal University of Piauí Graduate Program in Materials Science and Engineering PI Teresina Brazil Federal University of Piauí Physics Postgraduate Program PI Teresina Brazil Federal university of Rio Grande do Norte Department of Materials Science and Engineering RN Natal Brazil Federal University of Rio Grande do Norte Department of Mechanical Engineering RN Natal Brazil Federal university of Rio Grande do Norte School of Science and Technology RN Natal Brazil

Copper oxide is a valuable p-type semiconductor for photovoltaic applications. In this work, plasma deposition with cathodic cage (CCPD) of copper oxide (CuO+Cu2O) films on glass was performed to evaluate the microstructural, morphological, chemical, and bandgap changes as a function of the treatment time variation (2, 3, 4, and 5 hours). The samples were analyzed by Scanning Electron Microscopy (SEM), Energy Dispersive System (EDS), X-ray Diffraction (XRD), and Raman Spectroscopy to identify morphologies, chemical composition, and crystalline phases of the deposited films, and the absorption spectrum optics was used to calculate the bandgap width. All films showed bandgap energies around 2.60 eV. However, the sample treated with a time of 3h presented a compact coating with 1.46 µm of thickness and bandgap energy equal to 2.57 eV, being the best result. © 2023, The Authors. All rights reserved.

关键词： Energy gap

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Water Distillation-Advances, Challenges & Future Directions: A Brief Review

Water Distillation-Advances, Challenges & Future Directions:...

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IEEE International Conference on Emerging & Sustainable Technologies for Power & ICT in a Developing Society (NIGERCON)

作者： Remilekun R. Elewa Temitayo S. Ogedengbe Olawale Charles Ogunnigbo Sunday A. Afolalu Moses E. Emetere Adediran A.A Oluwatoyin Augustine Ojo Mechanical and Mechatronics Engineering Department Afe Babalola University Ado-Ekiti Nigeria Mechanical Engineering Department Nile University of Nigeria Abuja Department of Mechanical Science University Johannesburg South Africa Physics Program. Bowen University Iwo Osun State Nigeria Department of Metallurgical & Materials Engineering Federal University Ekiti Nigeria Department of Mechanical Engineering Science University of Johannesburg South Africa

ISBN: (数字)9798331542559

ISBN: (纸本)9798331542566

Every human being has the basic need for clean drinking water, however 1.1 billion people worldwide do not have access to it. While there are other methods for purifying water, including filtration, reverse osmosis, UV light, and carbon absorption, but distillation and boiling are the most dependable. Distillation is a vital method of purifying water, particularly in areas where tap water or water resources are unfit for human consumption without chemical or heating treatment. This review discusses the recent advances in water distillation. The techniques employed and challenges involved have also been discussed. Finally, the future direction of technology in this regard has been reviewed.

关键词： Humanities Heat treatment Reviews Purification Filtration Water heating Production Reverse osmosis Water resources Chemicals

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Ab initio phonon transport across grain boundaries in graphene using machine learning based on small dataset

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Physical Review materials 2022年第4期6卷 044004-044004页

作者： Amirreza Hashemi Ruiqiang Guo Keivan Esfarjani Sangyeop Lee Computational Modeling and Simulation Program University of Pittsburgh Pittsburgh Pennsylvania 15261 USA Department of Mechanical Engineering and Materials Science University of Pittsburgh Pittsburgh Pennsylvania 15261 USA Department of Mechanical and Aerospace Engineering University of Virginia Charlottesville Virginia 22904 USA Department of Materials Science and Engineering University of Virginia Charlottesville Virginia 22904 USA Department of Physics University of Virginia Charlottesville Virginia 22904 USA Department of Physics and Astronomy University of Pittsburgh Pittsburgh Pennsylvania 15261 USA

Establishing the structure-property relationship for grain boundaries (GBs) is critical for developing next-generation functional materials but has been severely hampered due to its extremely large configurational space. Atomistic simulations with low computational cost and high predictive power are strongly desirable, but the conventional simulations using empirical interatomic potentials and density functional theory suffer from the lack of predictive power and high computational cost, respectively. A machine learning interatomic potential (MLIP) recently emerged but often requires extensive size of the training dataset, making it a less feasible approach. Here, we demonstrate that an MLIP trained with a rationally designed small training dataset can predict thermal transport across GBs in graphene with ab initio accuracy at an affordable computational cost. We employed a rational approach based on the structural unit model to find a small set of GBs that can represent the entire configurational space and thus can serve as a cost-effective training dataset for the MLIP. Only 5 GBs were found to be enough to represent the entire configurational space of graphene GBs. Using the atomistic Green's function approach and the MLIP, we revealed that the structure-thermal resistance relation in graphene does not follow the common understanding that large dislocation density causes larger thermal resistance. In fact, thermal resistance is nearly independent of dislocation density at room temperature and is higher when the dislocation density is small at sub-room temperature. We explain this intriguing behavior with the buckling near a GB causing a strong scattering of flexural phonon modes. In this paper, we show that a machine learning technique combined with conventional wisdom (e.g., structural unit model) can extend the recent success of ab initio thermal transport simulation, which has been mostly limited to single crystals, to complex yet practically important polycry

关键词： Phonons Graphene Landauer formula Machine learning

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Highly sensitive spin-flop transition in antiferromagnetic van der Waals material MPS3 (M=Ni and Mn)

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Physical Review materials 2021年第6期5卷 064413-064413页

作者： Rabindra Basnet Aaron Wegner Krishna Pandey Stephen Storment Jin Hu Department of Physics University of Arkansas Fayetteville Arkansas 72701 USA Materials Science and Engineering Program Institute for Nanoscience and Engineering University of Arkansas Fayetteville Arkansas 72701 USA

Recent developments in two-dimensional (2D) magnetism have motivated the search for van der Waals (vdW) magnetic materials to explore magnetic phenomena in the 2D limit. Metal thiophosphates, MPX3, are a class of magnetic vdW materials with antiferromagnetic ordering persisting down to the atomically thin limit. The magnetism in this material family has been found to be highly dependent on the choice of transition metal M. In this work, we have synthesized the intermediate compounds Ni1−xMnxPS3 (0≤x≤1) and investigated their magnetic properties. Our study reveals that the variation of Ni and Mn content in Ni1−xMnxPS3 can efficiently tune the spin-flop transition, likely due to the modulation of the magnetic anisotropy. Such effective tuning offers a promising candidate to engineer 2D magnetism for future device applications.

关键词： Magnetic anisotropy Magnetic order

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Preparation and properties of bimetallic Co/Cu ZIF-67 for electrochemical application 1

Preparation and properties of bimetallic Co/Cu ZIF-67 for el...

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1st Annual International Conference on Sensor Technology, INCOST 2023

作者： Wulandari, C. Gumilar, G. Nugraha Wasisto, H.S. Iqbal, M. Irzaman Nugroho, W.S. Rusydi, F. Doctoral Program of Engineering Physics Faculty of Industrial Technology Institut Teknologi Bandung Ganesha 10 Bandung40132 Indonesia Advanced Functional Materials Research Group Institut Teknologi Bandung Bandung40132 Indonesia PT Biostark Analitika Inovasi Bandung40375 Indonesia Bandung40135 Indonesia Research Center for Nanosciences and Nanotechnology Institut Teknologi Bandung Bandung40132 Indonesia PT Nanosense Instrument Indonesia Umbulharjo Yogyakarta55167 Indonesia Department of Physics Faculty of Mathematics and Natural Sciences IPB University Bogor16680 Indonesia Departement of Veterinary Public Health Faculty of Veterinary Medicine Universitas Gadjah Mada Yogyakarta55281 Indonesia Department of Physics Faculty of Science and Technology Universitas Airlangga Surabaya60115 Indonesia

Efforts to enhance the electrochemical properties of materials have become the focus of numerous studies because these properties are essential in various fields of application. Zeolitic imidazole framework-67 (ZIF-67) is a type of metal-organic framework (MOFs) expected to demonstrate excellent performance in electrochemical applications due to its numerous distinct properties. Consequently, various strategies and techniques have been developed to improve the electrochemical performance of ZIF-67. In this study, we employed bimetallic ZIF-67 constructed with cobalt (Co) and copper (Cu) metal ions within the imidazole frameworks. The use of bimetal is expected to increase conductivity and fine-tune the physicochemical properties of ZIF-67. Using coprecipitation methods, we synthesized both single-metal and bimetallic ZIF-67 and compared their characterizations. The addition of Cu metal ions does not alter the materials phase, ensuring compatibility with the single-metal ZIF-67 structure. However, the rhombic dodecahedron morphology of ZIF-67 shifts from a smooth to a concave and rough surface in Co/Cu ZIF-67. Furthermore, Co/Cu ZIF-67 exhibits higher peak current on their cyclic voltammetry (CV) curve by 46.15 μA. The results effectively illustrate the advantages of bimetal on ZIF-67 properties and performance. Finally, this study succesfully briefly demonstrate the potential development of Co/Cu-based ZIF-67 for various electrochemical applications. © Published under licence by IOP Publishing Ltd.

关键词： Metal ions

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Low-Loss, Nonvolatile Tuning of Bragg Structures with Sb2Se3

Low-Loss, Nonvolatile Tuning of Bragg Structures with Sb2Se3

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Conference on Lasers and Electro-Optics (CLEO)

作者： Nicholas A. Nobile Chuanyu Lian Hongyi Sun Yi-Siou Huang Brian Mills Cosmin Constantin Popescu Dennis Callahan Juejun Hu Carlos A. Ríos Ocampo Nathan Youngblood Electrical & Computer Engineering Department University of Pittsburgh Pittsburgh PA USA Department of Materials Science & Engineering University of Maryland College Park MD USA Institute for Research in Electronics and Applied Physics University of Maryland College Park MD USA Department of Materials Science & Engineering Massachusetts Institute of Technology Cambridge MA USA Draper Scholar Program The Charles Stark Draper Laboratory Inc Cambridge MA USA The Charles Stark Draper Laboratory Inc Cambridge MA USA

Sb 2 Se 3 is used to switch between broadband transparency and enhanced index contrast in two device types leveraging Bragg gratings for tunable stop-and pass-band functionalities. Experimental results highlight fabr... 详细信息

ISBN: (纸本)9798350369311

关键词： Bragg gratings Waveguide transitions Phase change materials Optical filters Optical switches Refractive index Fabry-Perot Indexes Passband Optical waveguides

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Exploring the Potential of Tesla Valve for Filtering and Sorting Microscale Active Swimmers: A Computational Study

SSRN

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SSRN 2023年

作者： Rogers, Ariel He, Zhiyao Wang, Yong Department of Physics University of Arkansas FayettevilleAR72701 United States Department of Computer Science and Computer Engineering University of Arkansas FayettevilleAR72701 United States Materials Science & Engineering Program University of Arkansas FayettevilleAR72701 United States Cell & Molecular Biology Program University of Arkansas FayettevilleAR72701 United States

An interesting connection between shark spiral intestines and the Tesla valve was proposed recently;however, how Tesla valves interact with active matters and the potential applications of Tesla valves in biology remain largely unexplored. Here, we present a computational study on the potential use of Tesla valves for filtering and sorting microscale active swimmers such as bacteria. We investigated the behavior of microswimmers passing through the Tesla valve at different linear and angular velocities using numerical simulations, and quantified the diodicity of the Tesla valve for active swimmers. Our results demonstrate that the Tesla valve can effectively filter and sort microscale swimmers based on their swimming behavior. The findings of this study suggest that Tesla valves could have potential applications in microscale sorting and chromatography, with significant implications for biomedical and environmental engineering. © 2023, The Authors. All rights reserved.

关键词： Bacteria

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AI for organic and polymer synthesis

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Science China Chemistry 2024年第8期67卷 2461-2496页

作者： Xin Hong Qi Yang Kuangbiao Liao Jianfeng Pei Mao Chen Fanyang Mo Hua Lu Wen-Bin Zhang Haisen Zhou Jiaxiao Chen Lebin Su Shuo-Qing Zhang Siyuan Liu Xu Huang Yi-Zhou Sun Yuxiang Wang Zexi Zhang Zhunzhun Yu Sanzhong Luo Xue-Feng Fu Shu-Li You Center of Chemistry for Frontier Technologies Department of ChemistryZhejiang UniversityHangzhou 310027China Center of Basic Molecular Science Department of ChemistryTsinghua UniversityBeijing 100084China Guangzhou National Laboratory Guangzhou 510005China Center for Quantitative Biology Academy for Advanced Interdisciplinary StudiesPeking UniversityBeijing 100871China State Key Laboratory of Molecular Engineering of Polymers Department of Macromolecular ScienceFudan UniversityShanghai 200433China School of Materials Science and Engineering Peking UniversityBeijing 100871China Beijing National Laboratory for Molecular Sciences Center for Soft Matter Science and EngineeringKey Laboratory of Polymer Chemistry and Physics of Ministry of EducationCollege of Chemistry and Molecular EngineeringPeking UniversityBeijing 100871China AI for Science(AI4S)-Preferred Program Shenzhen Graduate SchoolPeking UniversityShenzhen 518055China State Key Laboratory of Chemical Biology Shanghai Institute of Organic ChemistryUniversity of Chinese Academy of SciencesChinese Academy of SciencesShanghai 200032China Department of Chemical Sciences National Natural Science Foundation of ChinaBeijing 100085China State Key Laboratory of Organometallic Chemistry Shanghai Institute of Organic ChemistryChinese Academy of SciencesShanghai 200032China

Recent years have witnessed the transformative impact from the integration of artificial intelligence with organic and polymer synthesis. This synergy offers innovative and intelligent solutions to a range of classic problems in synthetic chemistry. These exciting advancements include the prediction of molecular property, multi-step retrosynthetic pathway planning, elucidation of the structure-performance relationship of single-step transformation, establishment of the quantitative linkage between polymer structures and their functions, design and optimization of polymerization process, prediction of the structure and sequence of biological macromolecules, as well as automated and intelligent synthesis platforms. Chemists can now explore synthetic chemistry with unprecedented precision and efficiency, creating novel reactions, catalysts, and polymer materials under the datadriven paradigm. Despite these thrilling developments, the field of artificial intelligence(AI) synthetic chemistry is still in its infancy, facing challenges and limitations in terms of data openness, model interpretability, as well as software and hardware support. This review aims to provide an overview of the current progress, key challenges, and future development suggestions in the interdisciplinary field between AI and synthetic chemistry. It is hoped that this overview will offer readers a comprehensive understanding of this emerging field, inspiring and promoting further scientific research and development.

关键词： organic synthesis polymer synthesis machine learning prediction chemical database automated synthesis

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Evolution of electronic and magnetic properties in the topological semimetal SmSbxTe2−x

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Physical Review B 2022年第15期105卷 155139-155139页

作者： Krishna Pandey Rabindra Basnet Jian Wang Bo Da Jin Hu Materials Science and Engineering Program Institute for Nanoscience and Engineering University of Arkansas Fayetteville Arkansas 72701 USA Department of Physics University of Arkansas Fayetteville Arkansas 72701 USA Department of Chemistry and Biochemistry Wichita State University Wichita Kansas 67260 USA Research and Services Division of Materials Data and Integrated System National Institute for Materials Science 1-1 Namiki Tsukuba Ibaraki 305-0044 Japan

The ZrSiS-type materials have attracted intensive attention due to the existence of various topological fermions. The magnetic version of the ZrSiS-type materials, LnSbTe (Ln=lanthanides), is an ideal candidate to explore novel exotic states due to the interaction between magnetism and topology. In this work, we report the experimental study on structural, magnetic, thermodynamic, and electronic properties for SmSbxTe2−x with various Sb content. The revealed evolutions of these properties with tuning the compositions would provide useful insights for the fundamental topological physics and the future applications.

关键词： Magnetic order Topological materials Topological phases of matter Antiferromagnets Single crystal materials Strongly correlated systems Crystal growth Crystal structures Energy-dispersive x-ray spectroscopy Magnetization measurements Specific heat measurements X-ray diffraction

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Deformed Fredkin model for the ν=5/2 Moore-Read state on thin cylinders

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Physical Review Research 2024年第1期6卷 013105-013105页

作者： Cristian Voinea Songyang Pu Ammar Kirmani Pouyan Ghaemi Armin Rahmani Zlatko Papić School of Physics and Astronomy University of Leeds Leeds LS2 9JT United Kingdom Theoretical Division T-4 Los Alamos National Laboratory Los Alamos New Mexico 87545 USA Physics Department City College of the City University of New York New York 10031 USA Physics Program Graduate Center of City University of New York New York 10031 USA Department of Physics and Astronomy and Advanced Materials Science and Engineering Center Western Washington University Bellingham Washington 98225 USA

We propose a frustration-free model for the Moore-Read quantum Hall state on sufficiently thin cylinders with circumferences ≲7 magnetic lengths. While the Moore-Read Hamiltonian involves complicated long-range interactions between triplets of electrons in a Landau level, our effective model is a simpler one-dimensional chain of qubits with deformed Fredkin gates. We show that the ground state of the Fredkin model has high overlap with the Moore-Read wave function and accurately reproduces the latter's entanglement properties. Moreover, we demonstrate that the model captures the dynamical response of the Moore-Read state to a geometric quench, induced by suddenly changing the anisotropy of the system. We elucidate the underlying mechanism of the quench dynamics and show that it coincides with the linearized bimetric field theory. The minimal model introduced here can be directly implemented as a first step towards quantum simulation of the Moore-Read state, as we demonstrate by deriving an efficient circuit approximation to the ground state and implementing it on an IBM quantum processor.

关键词： Fractional quantum Hall effect Quantum computation Quantum many-body systems Strongly correlated systems Exact diagonalization Matrix product states

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