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CCS Chemistry 2024年第6期6卷 1477-1486页

作者： Yu Han Sunggi An Xinyu Zhan Leiduan Hao Liang Xu Song Hong Dongmin Park Yuxin Chen Yiwen Xu Jiwen Zhao Xinyi Tan Alex W.Robertson yousung jung Zhenyu Sun State Key Laboratory of Organic-Inorganic Composites College of Chemical EngineeringBeijing University of Chemical TechnologyBeijing 100029 Department of Chemical and Biomolecular Engineering(BK21four) Korea Advanced Institute of Science and Technology(KAIST)Daejeon 34141 Beijing Key Laboratory of Environmental Science and Engineering School of Materials Science and EngineeringBeijing Institute of TechnologyBeijing 100081 Department of Physics University of WarwickCoventry

The design and development of cheap,abundant,and efficient electrocatalysts for selective CO_(2)electroreduction is highly desirable yet remains an ongoing ***,we report on our discovery of the use of two-dimensional MgO rich in oxygen vacancies(VO)as an electrocatalyst for the efficient reduction of CO_(2)to yield CO in 1-butyl-3-methylimidazolium hexafluorophosphate dissolved in *** faradaic efficiency toward CO reaches as high as 99.6±0.24%with a current density of up to 40.8 mA cm−*** functional theory calculations illustrate that the introduction of VO in MgO substantially lowers the reaction-free energy for the transformation of ^(*)COO^(−) to ^(*)COOH,the potential determining step,which greatly boosts CO_(2)conversion *** work opens the way to realizing economic and efficient CO_(2)electrolysis of group II metals.

关键词： CO_(2)reduction electrocatalysis CO MgO ionic liquid oxygen-vacancy

Perovskite synthesizability using graph neural networks

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npj Computational Materials 2022年第1期8卷 697-704页

作者： Geun Ho Gu Jidon Jang Juhwan Noh Aron Walsh yousung jung Department of Chemical and Biomolecular Engineering(BK21 four) KAIST291 Daehak-ro 34141Daejeon305-335South Korea School of Energy Technology Korea Institute of Energy Technology200 Hyuksin-roNaju58330South Korea Department of Materials Imperial College LondonLondonSW72AZUK Department of Materials Science and Engineering Yonsei UniversitySeoul03722South Korea

Perovskite is an important material type in geophysics and for technologically important ***,the number of synthetic perovskites remains relatively *** accelerate the high-throughput discovery of perovskites,we propose a graph neural network model to assess their *** trained model shows a promising 0.957 out-of-sample true positive rate,significantly improving over empirical rule-based *** validation is established by demonstrating that a significant portion of the virtual crystals that are predicted to be synthesizable have already been indeed synthesized in literature,and those with the lowest synthesizability scores have not been *** previous empirical strategies are mainly applicable to metal oxides,our model is general and capable of predicting the synthesizability across all classes of perovskites,including chalcogenide,halide,and hydride perovskites,as well as *** apply the method to identify synthesizable perovskite candidates for two potential applications,the Li-rich ion conductors and metal halide optical materials that can be tested experimentally.

关键词： methods. perovskite halide

A structure translation model for crystal compounds

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npj Computational Materials 2023年第1期9卷 875-883页

作者： Sungwon Kim Juhwan Noh Taewon Jin Jaewan Lee yousung jung Department of Chemical and Biomolecular Engineering KAIST291 Daehak-roDaejeon 34141South Korea School of Chemical and Biological Engineering Seoul National University1Gwanak-roGwanak-guSeoul 08826South Korea

High-throughput virtual screening for crystals aims to discover new materials by evaluating the property of every virtual candidate in the database *** this process,the major computational bottleneck is the costly structural relaxation of each hypothetical material on the large-scale dataset using density functional theory(DFT)***,we present a generative domain translation framework that maps the unrelaxed structural domains to the relaxed domains,enabling data-driven structural *** model predicts the materials formation energy with a small mean absolute error without DFT relaxations,and furthermore can produce the atomic coordinates consistent with the DFT relaxed *** utility of the proposed concept is not restricted to the structural domains,and we expect that it can be extended to translate the domain of easy-to-compute properties into the domain of more difficult properties.

关键词： translation translate relaxed

Single atom and defect engineering of CuO for efficient electrochemical reduction of CO_(2) to C_(2)H_(4)

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SmartMat 2022年第1期3卷 194-205页

作者： Senlin Chu Changwoo Kang Woonghyeon Park Yu Han Song Hong Leiduan Hao Hao Zhang Tsz Woon Benedict Lo Alex W.Robertson yousung jung Buxing Han Zhenyu Sun State Key Laboratory of Organic‐Inorganic Composites Beijing University of Chemical TechnologyBeijingChina Department of Chemical and Biomolecular Engineering Korea Advanced Institute of Science and Technology(KAIST)DaejeonRepublic of Korea Department of Applied Biology and Chemical Technology The Hong Kong Polytechnic UniversityHong KongChina Department of Physics University of WarwickCoventryUK Institute of Chemistry Chinese Academy of SciencesBeijingChina

Electrochemical CO_(2) transformation to high‐value ethylene(C_(2)H_(4))at high currents and efficiencies is desired and yet remains a grand *** show for the first time that coupling single Sb atoms and oxygen vacancies of CuO enable synergistic electrocatalytic reduction of CO_(2) to C_(2)H_(4) at low *** dispersed Sb atoms occupying metal substitutional sites of CuO are synthesized under mild *** overall CO_(2) reduction faradaic efficiency(FE)reaches 89.3±1.1%with an FE toward C_(2)H_(4) exceeding 58.4%at a high‐current density of 500 mA/cm^(2).Addition of the p‐block metal is found to induce transformation of CuO from flakes to nanoribbons rich in nanoholes and oxygen vacancies,greatly enhancing CO_(2) adsorption and activation while suppressing hydrogen *** density functional theory calculations with in situ X‐ray diffraction reveal that combining Sb sites and oxygen vacancies prominently lessen the dimerization energy of adsorbed CO intermediate,thus boosting the conversion of CO_(2) to produce C_(2)H_(4).This study provides a new perspective for promoting selective C-C coupling for electrochemical CO_(2) reduction.

关键词： CO_(2)reduction copper oxide electrocatalysis ethylene single sites

Engineering vacancy and hydrophobicity of two-dimensional TaTe_(2)for efficient and stable electrocatalytic N_(2)reduction

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The Innovation 2022年第1期3卷 38-45页

作者： Zhenqing Zhao Jongseo Park Changhyeok Choi Song Hong Xiangchao Hui Hao Zhang Tsz Woon Benedict Lo Alex W.Robertson Zengxiang Lv yousung jung Zhenyu Sun State Key Laboratory of Organic-Inorganic Composites Beijing University of Chemical TechnologyBeijing 100029China Department of Chemical and Biomolecular Engineering(BK21 four) Korea Advanced Institute of Science and Technology(KAIST)Daejeon 34141Republic of Korea Department of Applied Biology and Chemical Technology The Hong Kong Polytechnic UniversityHong KongChina Department of Materials University of OxfordOxford OX13PHUK

Demand for ammonia continues to increase to sustain the growing global *** direct electrochemical N2 reduction reaction(NRR)powered by renewable electricity offers a promising carbon-neutral and sustainable strategy for manufacturing NH3,yet achieving this remains a grand ***,we report a synergistic strategy to promote ambient NRR for ammonia production by tuning the Te vacancies(VTe)and surface hydrophobicity of two-dimensional TaTe_(2)*** NH3 faradic efficiency of up to 32.2%is attained at a mild overpotential,which is largely maintained even after 100 h of consecutive *** labeling validates that the N atoms of formed NH4+originate from *** situ X-ray diffraction indicates preservation of the crystalline structure of TaTe_(2)during *** density functional theory calculations reveal that the potential-determining step(PDS)is*NH_(2)+(H^(+)+e^(-))/NH3 on VTe-TaTe_(2)compared with that of*+N2+(H^(+)+e^(-))/*N-NH on TaTe_(2).We identify that the edge plane of TaTe_(2)and VTe serve as the main active sites for *** free energy change at PDS on VTe-TaTe_(2)is comparable with the values at the top of the NRR volcano plots on various transition metal surfaces.

关键词： ammonia maintained ambient

A Miniaturized Crawler Design Based on an Origami-inspired and Geometrically Constrained Spherical Six-bar Linkage

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Journal of Bionic Engineering 2024年第1期21卷 166-176页

作者： Subin Chae Gwang-Pil jung Department of Mechanical and Automotive Engineering Seoul National University of Science and TechnologySeoul 01811South Korea

This paper focuses on a newly developed transmission for a milli-scale eight-legged crawling robot called *** transmission allows intuitive steering by directly changing the direction of the propulsion *** transmission is based on the constrained spherical six-bar *** constrained spherical six-bar linkage passes only reciprocating motion out of the motor’s rotating motion,allowing the crawling legs to kick the ground and obtain *** is achieved by adjusting the geometric constraints of the spherical six-bar using a servomotor,allowing the direction of propulsion to be *** a result,the OriSCO can move along the ground at a speed of 2.15 body lengths/s,and the robot is 60 mm long.

关键词： Bio-inspired robot Crawler:Crawling robot Direction change Spherical six-bar linkage

A Transfer Function Design for Medical Volume Data Using a Knowledge Database Based on Deep Image and Primitive Intensity Profile Features Retrieval

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Journal of Computer Science & Technology 2024年第2期39卷 320-335页

作者： Younhyun jung Jim Kong 盛斌 Jinman Kim School of Computing Gachon UniversitySeongnam 13120Korea School of Computer Science The University of SydneySydney 2006Australia Department of Computer Science and Engineering Shanghai Jiao Tong UniversityShanghai 200240China

Direct volume rendering(DVR)is a technique that emphasizes structures of interest(SOIs)within a volume visually,while simultaneously depicting adjacent regional information,e.g.,the spatial location of a structure concerning its *** DVR,transfer function(TF)plays a key role by enabling accurate identification of SOIs interactively as well as ensuring appropriate visibility of *** generation typically involves non-intuitive trial-and-error optimization of rendering parameters,which is time-consuming and *** at mitigating this manual process have led to approaches that make use of a knowledge database consisting of pre-designed TFs by domain *** these approaches,a user navigates the knowledge database to find the most suitable pre-designed TF for their input volume to visualize the *** these approaches potentially reduce the workload to generate the TFs,they,however,require manual TF navigation of the knowledge database,as well as the likely fine tuning of the selected TF to suit the *** this work,we propose a TF design approach,CBR-TF,where we introduce a new content-based retrieval(CBR)method to automatically navigate the knowledge *** of pre-designed TFs,our knowledge database contains volumes with SOI *** an input volume,our CBR-TF approach retrieves relevant volumes(with SOI labels)from the knowledge database;the retrieved labels are then used to generate and optimize TFs of the *** approach largely reduces manual TF navigation and fine *** our CBR-TF approach,we introduce a novel volumetric image feature which includes both a local primitive intensity profile along the SOIs and regional spatial semantics available from the co-planar images to the *** the regional spatial semantics,we adopt a convolutional neural network to obtain high-level image feature *** the intensity profile,we extend the dynamic time warping technique to address subtle alignment

关键词： data retrieval direct volume rendering ray analysis transfer function

Comparison of a Spectral Bin and Two Multi-Moment Bulk Microphysics Schemes for Supercell Simulation:Investigation into Key Processes Responsible for Hydrometeor Distributions and Precipitation

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Advances in Atmospheric Sciences 2024年第5期41卷 784-800页

作者： Marcus JOHNSON Ming XUE Youngsun jung Center for Analysis and Prediction of Storms University of OklahomaNormanOK 73072USA School of Meteorology University of OklahomaNormanOK 73072USA Office of Science and Technology Integration National Weather ServiceSilver SpringMD 20910USA

There are more uncertainties with ice hydrometeor representations and related processes than liquid hydrometeors within microphysics parameterization(MP)schemes because of their complicated geometries and physical *** supercell simulations are produced using the WRF model coupled with“full”Hebrew University spectral bin MP(HU-SBM),and NSSL and Thompson bulk MP(BMP)***-SBM downdrafts are typically weaker than those of the NSSL and Thompson simulations,accompanied by less rain ***-SBM produces more cloud ice(plates),graupel,and hail than the BMPs,yet precipitates less at the *** limiting mass bins(and subsequently,particle size)of rimed ice in HU-SBM and slower rimed ice fall speeds lead to smaller melting-level net rimed ice fluxes than those of the *** from plates in HU-SBM,together with snow–graupel collisions,leads to a greater snow contribution to rain than those of the *** HU-SBM’s fall speeds using the formulations of the BMPs after aggregating the discrete bin values to mass mixing ratios and total number concentrations increases net rain and rimed ice ***,they are smaller in magnitude than bulk rain,NSSL hail,and Thompson graupel net fluxes near the ***,the melting-layer net rimed ice fluxes are reduced when the fall speeds for the NSSL and Thompson simulations are calculated using HU-SBM fall speed formulations after discretizing the bulk particle size distributions(PSDs)into spectral *** results highlight precipitation sensitivity to storm dynamics,fall speed,hydrometeor evolution governed by process rates,and MP PSD design.

关键词： precipitation spectral bin microphysics bulk microphysics parameterization microphysics processes WRF model supercell storm

Adverse effects of early-life stress:focus on the rodent neuroendocrine system

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Neural Regeneration Research 2024年第2期19卷 336-341页

作者： Seung Hyun Lee Eui-Man jung Department of Molecular Biology College of Natural SciencesPusan National UniversityBusanRepublic of Korea

Early-life stress is associated with a high prevalence of mental illnesses such as post-traumatic stress disorders,attention-deficit/hyperactivity disorder,schizophrenia,and anxiety or depressive behavior,which constitute major public health *** the early stages of brain development after birth,events such as synaptogenesis,neuron maturation,and glial differentiation occur in a highly orchestrated manner,and external stress can cause adverse long-term effects throughout *** body utilizes multifaceted mechanisms,including neuroendocrine and neurotransmitter signaling pathways,to appropriately process external *** individuals first exposed to early-life stress deploy neurogenesis as a stress-defense mechanism;however,in adulthood,early-life stress induces apoptosis of mature neurons,activation of immune responses,and reduction of neurotrophic factors,leading to anxiety,depression,and cognitive and memory *** process involves the hypothalamus-pituitary-adrenal axis and neurotransmitters secreted by the central nervous system,including norepinephrine,dopamine,and *** rodent early-life stress model is generally used to experimentally assess the effects of stress during *** paper reviews the use of the early-life stress model and stress response mechanisms of the body and discusses the experimental results regarding how early-life stress mediates stress-related pathways at a high vulnerability of psychiatric disorder in adulthood.

关键词： early-life stress hypothalamic-pituitary-adrenergic axis maternal separation mental illness neurodevelopmental disorder neuroendocrine system neurotransmitter

Empirical Wavelet Transform Based Method for Identification and Analysis of Sub-synchronous Oscillation Modes Using PMU Data

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Journal of Modern Power Systems and Clean Energy 2024年第1期12卷 34-40页

作者： Joice G.Philip Jaesung jung Ahmet Onen the Department of Energy Systems Research Ajou UniversitySuwonSouth Korea the Department of Electrical and Electronic Engineering Abdullah Gul UniversityKayseri38080Turkey the Department of Electrical and Computer Engineering College of EngineeringSultan Qaboos UniversityAl-KhoudMuscatOman

This paper proposes an empirical wavelet transform(EWT)based method for identification and analysis of sub-synchronous oscillation(SSO)modes in the power system using phasor measurement unit(PMU)*** phasors from PMUs are preprocessed to check for the presence of *** the presence is established,the signal is decomposed using EWT and the parameters of the mono-components are estimated through Yoshida *** superiority of the proposed method is tested using test signals with known parameters and simulated using actual SSO signals from the Hami Power Grid in Northwest *** show the effectiveness of the proposed EWT-Yoshida method in detecting the SSO and estimating its parameters.

关键词： Empirical wavelet transform(EWT) sub-synchronous oscillation Prony-based method Yoshida algorithm variational mode decomposition phasor measurement unit(PMU)