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Emerging contaminants:A One Health perspective

The Innovation 2024年第4期5卷 140-170,139页

作者： Fang Wang Leilei Xiang Kelvin Sze-Yin Leung Martin Elsner Ying Zhang Yuming Guo Bo Pan Hongwen Sun Taicheng An Guangguo Ying Bryan WBrooks Deyi Hou Damian EHelbling Jianqiang Sun Hao Qiu Timothy MVogel Wei Zhang Yanzheng Gao Myrna JSimpson Yi Luo Scott XChang Guanyong Su Bryan MWong Tzung-May Fu Dong Zhu Karl JJobst Chengjun Ge Frederic Coulon Jean Damascene Harindintwali Xiankui Zeng Haijun Wang Yuhao Fu Zhong Wei Rainer Lohmann Changer Chen Yang Song Concepcion Sanchez-Cid Yu Wang Ali El-Naggar Yiming Yao Yanran Huang Japhet Cheuk-Fung Law Chenggang Gu Huizhong Shen Yanpeng Gao Chao Qin Hao Li Tong Zhang Natàlia Corcoll Min Liu Daniel SAlessi Hui Li Kristian KBrandt Yolanda Pico Cheng Gu Jianhua Guo Jianqiang Su Philippe Corvini Mao Ye Teresa Rocha-Santos Huan He Yi Yang Meiping Tong Weina Zhang Fidèle Suanon Ferdi Brahushi Zhenyu Wang Syed AHashsham Marko Virta Qingbin Yuan Gaofei Jiang Louis A.Tremblay Qingwei Bu Jichun Wu Willie Peijnenburg Edward Topp Xinde Cao Xin Jiang Minghui Zheng Taolin Zhang Yongming Luo Lizhong Zhu Xiangdong Li DamiàBarceló Jianmin Chen Baoshan Xing Wulf Amelung Zongwei Cai Ravi Naidu Qirong Shen Janusz Pawliszyn Yong-guan Zhu Andreas Schaeffer Matthias C.Rillig Fengchang Wu Gang Yu James M.Tiedje State Key Laboratory of Soil and Sustainable Agriculture Institute of Soil ScienceChinese Academy of SciencesNanjing 210008China University of Chinese Academy of Sciences Beijing 100049China Department of Chemistry Hong Kong Baptist UniversityHong KongChina HKBU Institute of Research and Continuing Education Shenzhen Virtual University ParkShenzhenChina Technical University of Munich TUM School of Natural SciencesInstitute of Hydrochemistry85748 GarchingGermany School of Resources&Environment Northeast Agricultural UniversityHarbin 150030China Climate Air Quality Research UnitSchool of Public Health and Preventive MedicineMonash UniversityMelbourneVICAustralia Faculty of Environmental Science&Engineering Kunming University of Science&TechnologyKunming 650500China Ministry of Education Key Laboratory of Pollution Processes and Environmental Criteria College of Environmental Science and EngineeringNankai UniversityTianjin 300350China Guangdong Key Laboratory of Environmental Catalysis and Health Risk Control School of Environmental Science and EngineeringInstitute of Environmental Health and Pollution ControlGuangdong University of TechnologyGuangzhou 510006China Ministry of Education Key Laboratory of Environmental Theoretical Chemistry South China Normal UniversityGuangzhouGuangdong 510006China Department of Environmental Science Baylor UniversityWacoTXUSA Center for Reservoir and Aquatic Systems Research(CRASR) Baylor UniversityWacoTXUSA School of Environment Tsinghua UniversityBeijing 100084China School of Civil and Environmental Engineering Cornell UniversityIthacaNY 14853USA Key Laboratory of Microbial Technology for Industrial Pollution Control of Zhejiang Province Zhejiang University of TechnologyHangzhou 310014China School of Environmental Science and Engineering Shanghai Jiao Tong UniversityShanghai 200240China Laboratoire d’Ecologie Microbienne Universite Claude Bernard Lyon 1UMR CNRS 5557UMR INRAE 1418VetAgro Sup69622 VilleurbanneFrance Department of Pla

Environmental pollution is escalating due to rapid global development that often prioritizes human needs over planetary *** global efforts to mitigate legacy pollutants,the continuous introduction of new substances remains a major threat to both people and the *** response,global initiatives are focusing on risk assessment and regulation of emerging contaminants,as demonstrated by the ongoing efforts to establish the UN’s Intergovernmental science-Policy Panel on Chemicals,Waste,and Pollution *** review identifies the sources and impacts of emerging contaminants on planetary health,emphasizing the importance of adopting a One Health *** for monitoring and addressing these pollutants are discussed,underscoring the need for robust and socially equitable environmental policies at both regional and international *** actions are needed to transition toward sustainable pollution management practices to safeguard our planet for future generations.

关键词： pollution planet contaminants

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Double resonant tunable second harmonic generation in two-dimensional layered materials through band nesting

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Physical Review B 2023年第11期107卷 115409-115409页

作者： Sudipta Romen Biswas Jin Yu Zhenwei Wang Diego Rabelo da Costa Chujun Zhao Shengjun Yuan Tony Low Department of Electrical and Computer Engineering University of Minnesota Minneapolis Minnesota 55455 USA Shanghai Key Laboratory of Mechanics in Energy Engineering Shanghai Institute of Applied Mathematics and Mechanics School of Mechanics and Engineering Science Shanghai University Shanghai 200444 China Institute for Molecules and Materials Radboud University Heijendaalseweg 135 6525AJ Nijmegen The Netherlands Key Laboratory of Artificial Micro- and Nano-Structures of Ministry of Education and School of Physics and Technology Wuhan University Wuhan 430072 China Departamento de Física Universidade Federal do Ceará Campus do Pici 60455-900 Fortaleza Ceará Brazil Key Laboratory for Micro/Nano Optoelectronic Devices of Ministry of Education Hunan Provincial Key Laboratory of Low-Dimensional Structural Physics and Devices School of Physics and Electronics Hunan University Changsha 410082 China School of Physics and Astronomy University of Minnesota Minneapolis Minnesota 55455 USA

We proposed a mechanism to generate giant anisotropic second harmonic nonlinear response via double resonance effect, achieved through band nesting via electronic band-structure engineering. The ideal band setup would be a triplet of nested bands separated by the fundamental resonance energy ℏω. We demonstrate theoretically that the proposed phenomenon can be realized in bilayer SnS by band tuning with perpendicular electrical bias, which maximizes the second harmonic susceptibility by several orders of magnitude. Moreover, the tunability of the polarization anisotropy can be useful for realizing novel polarization-sensitive devices.

关键词： Nesting Nonlinear optical susceptibility Nonlinear optics 2-dimensional systems Tight-binding model

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Computational Design of Anisotropic Stealthy Hyperuniform Composites with Engineered Directional Scattering Properties

arXiv

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arXiv 2023年

作者： Shi, Wenlong Keeney, David Chen, Duyu Jiao, Yang Torquato, Salvatore Materials Science and Engineering Arizona State University TempeAZ85287 United States Materials Research Laboratory University of California Santa BarbaraCA93106 United States Department of Physics Arizona State University TempeAZ85287 United States Department of Chemistry Princeton University PrincetonNJ08544 United States Department of Physics Princeton University PrincetonNJ08544 United States Princeton Institute of Materials Princeton University PrincetonNJ08544 United States Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States

Disordered hyperuniform materials are an emerging class of exotic amorphous states of matter that endow them with singular physical properties, including large isotropic photonic band gaps, superior resistance to fracture, and nearly optimal electrical and thermal transport properties, to name but a few. Here, we generalize the Fourier-space based numerical construction procedure for designing and generating digital realizations of isotropic disordered hyperuniform two-phase heterogeneous materials (i.e., composites) developed by Chen and Torquato [Acta Mater. 142, 152 (2018)] to anisotropic microstructures with targeted spectral densities. Our generalized construction procedure explicitly incorporates the vector-dependent spectral density function χ˜V (k) of arbitrary form that is realizable. We demonstrate the utility of the procedure by generating a wide spectrum of anisotropic stealthy hyperuniform (SHU) microstructures with χ˜V (k) = 0 for k ∈ Ω, i.e., complete suppression of scattering in an "exclusion" region Ω around the origin in the Fourier space. We show how different exclusion-region shapes with various discrete symmetries, including circular-disk, elliptical-disk, square, rectangular, butterfly-shaped and lemniscate-shaped regions of varying size, affect the resulting statistically anisotropic microstructures as a function of the and phase volume fraction. The latter two cases of Ω lead to directionally hyperuniform composites, which are stealthy hyperuniform only along certain directions, and are non-hyperuniform along others. We find that, while the circular-disk exclusion regions give rise to isotropic hyperuniform composite microstructures, the directional hyperuniform behaviors imposed by the shape asymmetry (or anisotropy) of certain exclusion regions give rise to distinct anisotropic structures and degree of uniformity in the distribution of the phases on intermediate and large length scales along different directions. Moreover, while the anisotr

关键词： Volume fraction

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Improving diffusion modeling in all-solid-state lithium batteries: a novel approach for grain boundary effects

arXiv

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arXiv 2025年

作者： Scholz, Lena Ou, Yongliang Grabowski, Blazej Fritzen, Felix Institute of Applied Mechanics University of Stuttgart Universitätsstraße 32 Stuttgart70569 Germany Institute for Materials Science University of Stuttgart Pfaffenwaldring 55 Stuttgart70569 Germany Department of Materials Science and Engineering Massachusetts Institute of Technology 77 Massachusetts Ave CambridgeMA02139 United States

All-solid-state lithium-ion batteries offer promising advantages with respect to capacity, safety, and performance. The diffusion behavior of lithium ions in the contained polycrystalline solid-state electrolyte is crucial for battery function. While atomistic studies indicate that grain boundaries (GBs) and grain size significantly impact diffusivity, the corresponding effects are either neglected in simulations on larger scales or considered only under strong assumptions such as isotropy. Our approach considers the fully resolved crystalline structure with a parametrization aligned with the atomistic perspective to describe diffusion along and across GBs. The approach is embedded into a finite element simulation using a novel collapsed interface element based on an analytical description in thickness direction. Results are governed by different and potentially anisotropic diffusion coefficients in bulk and GB domains. The mesoscale response is derived using linear computational homogenization to capture large-scale effects. The novel collapsed interface description allows for a reconstruction of the 3D transport behavior within the GB domain without resolving it and is able to capture the relevant transport mechanisms such as channeling effects and concentration jumps. Grain size and GB volume fraction are expressed in terms of an affine parameter dependence and can be altered without any changes to geometry or mesh. Together with the observed dependence of the effective material response on the anisotropic GB parametrization, this leads to the identification of four distinct diffusion regimes, each with implications for the design of battery materials. © 2025, CC BY.

关键词： Lithium-ion batteries

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Ultrafast Fabrication of H2SO4, LiCl, and Li2SO4 Gel Electrolyte Supercapacitors with Reduced Graphene Oxide (rGO)-LiMnOx Electrodes Processed Using Atmospheric-Pressure Plasma Jet

引用

Micromachines 2023年第9期14卷

作者： Lan, Pei-Ling Ni, I-Chih Wu, Chih-I Hsu, Cheng-Che Cheng, I-Chun Chen, Jian-Zhang Graduate Institute of Applied Mechanics National Taiwan University Taipei City10617 Taiwan Advanced Research Center for Green Materials Science and Technology National Taiwan University Taipei City10617 Taiwan Department of Electrical Engineering Graduate Institute of Photonics and Optoelectronics National Taiwan University Taipei City10617 Taiwan Graduate School of Advanced Technology National Taiwan University Taipei City10617 Taiwan Department of Chemical Engineering National Taiwan University Taipei City10617 Taiwan

Pastes containing reduced graphene oxide (rGO) and LiCl-Mn(NO3)2·4H2O are screen-printed on a carbon cloth substrate and then calcined using a nitrogen atmospheric-pressure plasma jet (APPJ) for conversion into rGO-LiMnOx nanocomposites. The APPJ processing time is within 300 s. RGO-LiMnOx on carbon cloth is used to sandwich H2SO4, LiCl, or Li2SO4 gel electrolytes to form hybrid supercapacitors (HSCs). The areal capacitance, energy density, and cycling stability of the HSCs are evaluated using electrochemical measurement. The HSC utilizing the Li2SO4 gel electrolyte exhibits enhanced electrode–electrolyte interface reactions and increased effective surface area due to its high pseudocapacitance (PC) ratio and lithium ion migration rate. As a result, it demonstrates the highest areal capacitance and energy density. The coupling of charges generated by embedded lithium ions with the electric double-layer capacitance (EDLC) further contributed to the significant overall capacitance enhancement. Conversely, the HSC with the H2SO4 gel electrolyte exhibits better cycling stability. Our findings shed light on the interplay between gel electrolytes and electrode materials, offering insights into the design and optimization of high-performance HSCs. © 2023 by the authors.

关键词： Supercapacitor

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General-purpose machine-learned potential for 16 elemental metals and their alloys

arXiv

引用

arXiv 2023年

作者： Song, Keke Zhao, Rui Liu, Jiahui Wang, Yanzhou Lindgren, Eric Wang, Yong Chen, Shunda Xu, Ke Liang, Ting Ying, Penghua Xu, Nan Zhao, Zhiqiang Shi, Jiuyang Wang, Junjie Lyu, Shuang Zeng, Zezhu Liang, Shirong Dong, Haikuan Sun, Ligang Chen, Yue Zhang, Zhuhua Guo, Wanlin Qian, Ping Sun, Jian Erhart, Paul Ala-Nissila, Tapio Su, Yanjing Fan, Zheyong Beijing Advanced Innovation Center for Materials Genome Engineering University of Science and Technology Beijing Beijing100083 China School of Materials Science and Engineering Hunan University Changsha410082 China MSP group QTF Centre of Excellence Department of Applied Physics Aalto University P.O. Box 15600 Aalto EspooFI-00076 Finland Chalmers University of Technology Department of Physics Gothenburg41926 Sweden National Laboratory of Solid State Microstructures School of Physics Collaborative Innovation Center of Advanced Microstructures Nanjing University Nanjing210093 China Department of Civil and Environmental Engineering George Washington University WashingtonDC20052 United States Department of Electronic Engineering and Materials Science and Technology Research Center The Chinese University of Hong Kong N.T. Shatin999077 Hong Kong Department of Physical Chemistry School of Chemistry Tel Aviv University Tel Aviv6997801 Israel Institute of Zhejiang University-Quzhou Quzhou324000 China College of Chemical and Biological Engineering Zhejiang University Hangzhou310027 China State Key Laboratory of Mechanics and Control of Mechanical Structures Key Laboratory for Intelligent Nano Materials and Devices of Ministry of Education Institute for Frontier Science Nanjing University of Aeronautics and Astronautics Nanjing210016 China Department of Mechanical Engineering The University of Hong Kong Pokfulam Road Hong Kong School of Science Harbin Institute of Technology Shenzhen518055 China College of Physical Science and Technology Bohai University Jinzhou121013 China Interdisciplinary Centre for Mathematical Modelling Department of Mathematical Sciences Loughborough University Leicestershire LoughboroughLE11 3TU United Kingdom

Machine-learned potentials (MLPs) have exhibited remarkable accuracy, yet the lack of general-purpose MLPs for a broad spectrum of elements and their alloys limits their applicability. Here, we present a feasible approach for constructing a unified general-purpose MLP for numerous elements, demonstrated through a model (UNEP-v1) for 16 elemental metals and their alloys. To achieve a complete representation of the chemical space, we show, via principal component analysis and diverse test datasets, that employing one-component and two-component systems suffices. Our unified UNEP-v1 model exhibits superior performance across various physical properties compared to a widely used embedded-atom method potential, while maintaining remarkable efficiency. We demonstrate our approach's effectiveness through reproducing experimentally observed chemical order and stable phases, and large-scale simulations of plasticity and primary radiation damage in MoTaVW alloys. This work represents a significant leap towards a unified general-purpose MLP encompassing the periodic table, with profound implications for materials science. Copyright © 2023, The Authors. All rights reserved.

关键词： Radiation damage

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Torsional periodic lattice distortions and diffraction of twisted 2D materials

arXiv

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arXiv 2022年

作者： Sung, Suk Hyun Goh, Yin Min Yoo, Hyobin Engelke, Rebecca Xie, Hongchao Zhang, Kuan Li, Zidong Ye, Andrew Deotare, Parag B. Tadmor, Ellad B. Mannix, Andrew J. Park, Jiwoong Zhao, Liuyan Kim, Philip Hovden, Robert Department of Materials Science and Engineering University of Michigan Ann ArborMI48109 United States Department of Physics University of Michigan Ann ArborMI48109 United States Department of Physics Sogang University Seoul04107 Korea Republic of Department of Physics Harvard University CambridgeMA02138 United States Aerospace Engineering and Mechanics University of Minnesota MinneapolisMN55455 United States Electrical and Computer Engineering Department University of Michigan Ann ArborMI48109 United States Pritzker School of Molecular Engineering University of Chicago ChicagoIL60637 United States Applied Physics Program University of Michigan Ann ArborMI48109 United States Department of Materials Science and Engineering Stanford University StanfordCA94305 United States Department of Chemistry University of Chicago ChicagoIL60637 United States

Twisted 2D materials form complex moiré structures that spontaneously reduce symmetry through picoscale deformation within a mesoscale lattice. We show twisted 2D materials contain a torsional displacement field comprised of three transverse periodic lattice distortions (PLD). The torsional PLD amplitude provides a single order parameter that concisely describes the structural complexity of twisted bilayer moirés. Moreover, the structure and amplitude of a torsional periodic lattice distortion is quantifiable using rudimentary electron diffraction methods sensitive to reciprocal space. In twisted bilayer graphene, the torsional PLD begins to form at angles below 3.89° and the amplitude reaches 8 pm around the magic angle of 1. 1°. At extremely low twist angles (e.g. below 0.25°) the amplitude increases and additional PLD harmonics arise to expand Bernal stacked domains separated by well defined solitonic boundaries. The torsional distortion field in twisted bilayer graphene is analytically described and has an upper bound of 22.6 pm. Similar torsional distortions are observed in twisted WS2, CrI3, and WSe2/MoSe2 © 2022, CC BY.

关键词： Graphene

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Multi-scale photonic emissivity engineering for relativistic lightsail thermal regulation

arXiv

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arXiv 2021年

作者： Brewer, John Campbell, Matthew F. Kumar, Pawan Kulkarni, Sachin Jariwala, Deep Bargatin, Igor Raman, Aaswath P. Department of Materials Science and Engineering University of California Los Angeles Los AngelesCA United States Department of Mechanical Engineering and Applied Mechanics University of Pennsylvania PhiladelphiaPA United States Department of Electrical and Systems Engineering University of Pennsylvania PhiladelphiaPA United States

The Breakthrough Starshot Initiative aims to send a gram-scale probe to Proxima Centuri B using a laser-accelerated lightsail traveling at relativistic speeds. Thermal management is a key lightsail design objective because of the intense laser powers required but has generally been considered secondary to accelerative performance. Here, we demonstrate nanophotonic photonic crystal slab reflectors composed of 2H-phase molybdenum disulfide and crystalline silicon nitride, highlight the inverse relationship between the thermal band extinction coefficient and the lightsail's maximum temperature, and examine the trade-off between the acceleration distance and setting realistic sail thermal limits, ultimately realizing a thermally endurable acceleration minimum distance of 16.3 Gm. We additionally demonstrate multi-scale photonic structures featuring thermal-wavelength-scale Mie resonant geometries, and characterize their broadband Mie resonance-driven emissivity enhancement and acceleration distance reduction. Our results highlight new possibilities in simultaneously controlling optical and thermal response over broad wavelength ranges in ultralight nanophotonic structures. Copyright © 2021, The Authors. All rights reserved.

关键词： Silicon nitride

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Origin of the injection-dependent emission blueshift and linewidth broadening of III-nitride light-emitting diodes

arXiv

引用

arXiv 2022年

作者： Pant, Nick Li, Xuefeng DeJong, Elizabeth Feezell, Daniel Armitage, Rob Kioupakis, Emmanouil Applied Physics Program University of Michigan Ann ArborMI48109 United States Department of Materials Science & Engineering University of Michigan Ann ArborMI48109 United States Center for High Technology Materials University of New Mexico AlbuquerqueNM87106 United States Lumileds LLC San JoseCA95131 United States

III-nitride light-emitting diodes (LEDs) exhibit an injection-dependent emission blueshift and linewidth broadening that is severely detrimental to their color purity. Using first-principles multi-scale modelling that accurately captures the competition between polarization-charge screening, phase-space filling, and many-body plasma renormalization, we explain the current-dependent spectral characteristics of polar III-nitride LEDs fabricated with state-of-the-art quantum wells. Our analysis uncovers a fundamental connection between carrier dynamics and the injection-dependent spectral characteristics of light-emitting materials. For example, polar III-nitride LEDs offer poor control over their injection-dependent color purity due to their poor hole transport and slow carrier recombination dynamics, which forces them to operate at or near degenerate carrier densities. Designs that accelerate carrier recombination and transport and reduce the carrier density required to operate LEDs at a given current density lessen their injection-dependent wavelength shift and linewidth broadening. Copyright © 2022, The Authors. All rights reserved.

关键词： Carrier concentration

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The Mid-Infrared Region Absorption of Graphene-based Photodetector with Au-grating Structure

The Mid-Infrared Region Absorption of Graphene-based Photode...

引用

IEEE International Conference on Nano/Molecular Medicine and engineering (NANOMED)

作者： Wei-Yu Long Kuan-Chou Lin Yu-Xuan Lu Chih-Ting Lin B.S. degree from the Department of Electrical Engineering from National Taiwan University. He is currently a Ph.D candidate in the Graduate School of Advanced Technology National Taiwan University B.S. degree in civil engineering from National Taiwan University and M.S. degree in Institute of Electronics Engineering National Taiwan University B.S. degree from the Department of Materials Science and Engineering from Central South University China B.S. degree in civil engineering from National Taiwan University the M.S. degree in Institute of Applied Mechanics from National Taiwan University and the Ph.D. degree in electrical engineering and computer science University of Michigan Ann Arbor MI USA

Graphene, a single layer of carbon atoms arranged in a two-dimensional honeycomb lattice, has garnered immense attention for its exceptional electrical conductivity, transparency, and mechanical strength. These properties make graphene an ideal candidate for photodetectors, as it can efficiently convert incident photons into electrical signals. The integration of graphene into surface plasmonic devices has opened up new avenues for photodetection technology. In our research, we combine graphene and surface plasmonic devices to realize a high responsivity mid-infrared graphene photodetector with a grating metal/graphene/SiO 2 structure. The Bruker Vertex70 Fourier-transform infrared spectroscopy (FTIR) was used for the mid-infrared spectrum measurement. With different linewidth of Au grating structure, the peak of absorption redshifts as the grating linewidth increases and the intensity is also different. Further, by adding graphene, the total absorption increases. Due to these advantages, the Au-grating graphene device can be used as infrared photodetectors.

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