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Predictive modeling of critical temperatures in magnesium compounds using transfer learning

Journal of Magnesium and Alloys 2024年第4期12卷 1540-1553页

作者： Surjeet Kumar Russlan Jaafreh Subhajit Dutta Jung Hyeon Yoo Santiago Pereznieto Kotiba Hamad dae ho yoon School of Advanced Materials Science&Engineering Sungkyunkwan University Suwon 16419Republic of Korea

This study presents a transfer learning approach for discovering potential Mg-based superconductors utilizing a comprehensive target ***,a large source dataset(Bandgap dataset)comprising approximately∼75k compounds is utilized for pretraining,followed by fine-tuning with a smaller Critical Temperature(T_(c))dataset containing∼300 ***,there is a significant improvement in the performance of the transfer learning model over the traditional deep learning(DL)model in predicting ***,the transfer learning model is applied to predict the properties of approximately 150k *** are validated computationally using density functional theory(DFT)calculations based on lattice dynamics-related ***,to demonstrate the extended predictive capability of the transfer learning model for new materials,a pool of virtual compounds derived from prototype crystal structures from the Materials Project(MP)database is generated.T_(c) predictions are obtained for∼3600 virtual compounds,which underwent screening for electroneutrality and thermodynamic *** Extra Trees-based model is trained to utilize E_(hull)values to obtain thermodynamically stable materials,employing a dataset containing Ehull values for approximately 150k materials for *** with Ehull values exceeding 5 meV/atom were filtered out,resulting in a refined list of potential Mg-based *** study showcases the effectiveness of transfer learning in predicting superconducting properties and highlights its potential for accelerating the discovery of Mg-based materials in the field of superconductivity.

关键词： Superconductivity Critical temperature Transfer learning Crystal structure features Thermodynamic stability

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Trifunctional robust electrocatalysts based on 3D Fe/N-doped carbon nanocubes encapsulating Co4N nanoparticles for efficient battery-powered water electrolyzers

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Carbon Energy 2024年第6期6卷 124-139页

作者： Hyung Wook Choi hongdae Lee Jun Lu Seok Bin Kwon Dong In Jeong Beum Jin Park Jiwon Kim Bong Kyun Kang Gun Jang dae ho yoon ho Seok Park SKKU Advanced Institute of Nano Technology(SAINT) Sungkyunkwan UniversitySuwon-siGyeonggi-doRepublic of Korea School of Chemical Engineering Sungkyunkwan UniversitySuwon-siGyeonggi-doRepublic of Korea School of Advanced Materials Science and Engineering Sungkyunkwan UniversitySuwon-siGyeonggi-doRepublic of Korea Department of Electronic Materials Devicesand Equipment EngineeringSoonchunhyang UniversityAsan CityChungnamRepublic of Korea SKKU Institute of Energy Science and Technology(SIEST) Sungkyunkwan UniversitySuwon-siGyeonggi-doRepublic of Korea Department of Health Sciences and Technology Samsung Advanced Institute for Health Sciences and Technology(SAIHST)Sungkyunkwan UniversitySuwonRepublic of Korea

Herein,we have designed a highly active and robust trifunctional electrocatalyst derived from Prussian blue analogs,where Co_(4)N nanoparticles are encapsulated by Fe embedded in N-doped carbon nanocubes to synthesize hierarchically structured Co_(4)N@Fe/N-C for rechargeable zinc-air batteries and overall water-splitting *** confirmed by theoretical and experimental results,the high intrinsic oxygen reduction reaction,oxygen evolution reaction,and hydrogen evolution reaction activities of Co_(4)N@Fe/N-C were attributed to the formation of the heterointerface and the modulated local electronic ***,Co_(4)N@Fe/N-C induced improvement in these trifunctional electrocatalytic activities owing to the hierarchical hollow nanocube structure,uniform distribution of Co_(4)N,and conductive encapsulation by Fe/***,the rechargeable zinc-air battery with Co_(4)N@Fe/N-C delivers a high specific capacity of 789.9 mAh g-1 and stable voltage profiles over 500 ***,the overall water electrolyzer with Co_(4)N@Fe/N-C achieved better durability and rate performance than that with the Pt/C and IrO2 catalysts,delivering a high Faradaic efficiency of 96.4%.Along with the great potential of the integrated water electrolyzer powered by a zinc-air battery for practical applications,therefore,the mechanistic understanding and active site identification provide valuable insights into the rational design of advanced multifunctional electrocatalysts for energy storage and conversion.

关键词： battery-powered electrolyzers hierarchical structure Prussian blue analog trifunctional electrocatalyst zinc-air battery

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Dual in-situ observation of tribochemical and morphological evolution of single-layer WS_(2)and multi-layer WS_(2)/C coatings

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Friction 2024年第7期12卷 1580-1598页

作者： Yuzhen LIU Jae-ho HAN Shusheng XU Young Chan JUNG dae-Eun KIM State Key Laboratory of Solid Lubrication Lanzhou Institute of Chemical PhysicsChinese Academy of SciencesLanzhou 730000China Department of Mechanical Engineering Yonsei UniversitySeoul03722Republic of Korea Shandong Laboratory of Advanced Materials and Green Manufacturing at Yantai Yantai 264000China Yantai Zhongke Research Institute of Advanced Materials and Green Chemical Engineering Yantai 264000China

The outstanding tribological performance of transition metal dichalcogenides(TMDs)is attributed to their unique sandwich microstructure and low interlayer shear *** advantageous structure allows TMDs to demonstrate exceptional friction reduction ***,the incorporation of TMDs and amorphous carbon(a-C)in multi-layer structures shows excellent potential for further enhancing tribological and anti-oxidation *** carbon,known for its high ductility,chemical inertness,and excellent wear resistance,significantly contributes to the overall performance of these multi-layer *** gain an in-depth understanding of the tribological mechanism and evolution of TMDs’multi-layer coatings,a dual in-situ analysis was carried out using a tribometer equipped with a 3D laser microscope and a Raman *** innovative approach allowed for a comprehensive evolution of the tribological,topographical,and tribochemical characteristics of both single-layer WS_(2)and multi-layer WS_(2)/C coatings in real *** findings from the dual in-situ tribotest revealed distinct failure characteristics between the single-layer WS_(2)coating and the multi-layer WS_(2)/C *** single-layer WS_(2)coating predominantly experienced failure due to mechanical removal,whereas a combination of mechanical removal and tribochemistry primarily influenced the failure of the multi-layer WS_(2)/C *** tribological evolution process of these two coatings can be classified into four stages on the basis of their tribological behavior:the running-in stage,stable friction stage,re-deposition stage,and lubrication failure *** stage represents a distinct phase in the tribological behavior of the coatings and contributes to our understanding of their behavior during sliding.

关键词： In-situ analysis multi-layer coating tribology tribochemistry

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Growth and Magnetic Properties of Sol-Gel Derived Co-Doped ZnO Thin Film

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Journal of Rare Earths 2006年第Z1期24卷 59-63页

作者： Young Sung Kim Ki Chul Kim Won Pil Tae dae ho yoon Tae Seok Park Su Jeong Suh Advanced Material Process of Information Technology Sungkyunkwan University Suwon 440-746 Korea Cambridge-ETRI Joint R&D Centre Electronics and Telecommunications Research Institute Daejeon 305-350 Korea Ulsan Industry Promotion Techno Park Ulsan 683-804 Korea Advanced Material Process of Information Technology Sungkyunkwan University Suwon 440-746 Korea Advanced Material Process of Information Technology Sungkyunkwan University Suwon 440-746 Korea Advanced Material Process of Information Technology Sungkyunkwan University Suwon 440-746 Korea

Zn1-xCoxO films were grown on glass by sol-gel spin coating process. A homogeneous and stable Zn1-xCoxO sol was prepared by dissolving zinc acetate dihydrate, cobalt acetate tetrahydrate and aluminium chloride hexahydrate as solutes in solution of isopropanol and monoethanolamine. The films were postheated and vacuum annealed, and investigated for c-axis preferred orientation and electromagnetic properties. Zn1-xCoxO films with different Co concentrations were oriented well along the c-axis, especially the Zn1-xCoxO film with 10% Co(atom fraction) was highly c-axis oriented. The transmittance spectra show that Zn1-xCoxO films occur d-d transition and sp-d exchange interaction between Co2+ ions. The electrical resistivity of the films at 10% Co had the lowest value because the crystallite size became largest and the crystallinity of the c-axis was improved. X-ray photoelectron spectroscopy and alternating gradient magnetometer analyses indicated that no Co metal cluster was formed, and the ferromagnetism at room temperature appeared. The characteristics of the electrical resistivity and room temperature ferromagnetism of sol-gel derived Zn1-xCoxO films suggest a potential application of dilute magnetic semiconductor devices.

关键词： sol-gel Zn1-xCoxO thin film dilute magnetic semiconductor (DMS)

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Investigation of Domain Wall Velocity to External Fields for High-Quality Waveguide-Type Periodically Poled LiNbO_(3) Fabrication

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Journal of Rare Earths 2006年第Z1期24卷 131-135页

作者： Soo Woo Kwon Woo Seok Yang H M Lee Woo Kyung Kim Hang Yong Lee dae ho yoon Yo Seung Song Department of Materials Engineering Hankuk Aviation UniversityGoyang 412-791Korea Nano Bio-Photonics Team Korea Electronics Technology InstituteBundang 463-816Korea Department of Advanced Material Engineering Sungkyunkwan UniversitySuwon 440-746Korea

The Ti-doped waveguide-type periodically poled LiNbO_(3)(PPLN)were fabricated and the dependence of domain wall velocity on an external field applied for domain inversion was *** whole polarization reversal process was computer-controlled to regulate domain wall expansion at a feedback time shorter than 5μ*** coercive voltage and several values of excess voltage were applied on 500μm-thick wafers serially connected to a 1-MOhm external resistor which had an effect of the poling current reduction,*** deceleration of domain wall *** domain wall velocity is sensitive to the poling voltage,precisely speaking,to the excess *** domain wall velocities were 28.70,16.02 and 5.75μm·s^(-1)under poling field of 23.5,22.0 and 21.0 kV·mm^(-1),***,average duty cycle of PPLN is about 49.93%.

关键词： periodically poled lithium niobate coerciv field duty cycle domain wall velocity quasi phase matching

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Vertical plane depth-resolved surface potential and carrier separation characteristics in flexible CZTSSe solar cells with over 12% efficiency

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Carbon Energy 2024年第3期6卷 36-52页

作者： dae-ho Son Ha Kyung Park dae-Hwan Kim Jin-Kyu Kang Shi-Joon Sung dae-Kue Hwang Jaebaek Lee Dong-Hwan Jeon Yunae Cho William Jo Taeseon Lee Junho Kim Sang-hoon Nam Kee-Jeong Yang Division of Energy Technology DGISTDaeguRepublic of Korea Research Center for Thin Film Solar Cells DGISTDaeguRepublic of Korea Department of Physics Ewha Womans UniversitySeoulRepublic of Korea Department of Physics Incheon National UniversityIncheonRepublic of Korea Department of Mechanical Engineering Massachusetts Institute of TechnologyCambridgeMassachusettsUSA

Cu2ZnSn(S,Se)4(CZTSSe)solar cells have resource distribution and economic *** main cause of their low efficiency is carrier loss resulting from recombination of photo-generated electron and *** overcome this,it is important to understand their electron-hole behavior *** determine the carrier separation characteristics,we measured the surface potential and the local current in terms of the absorber *** elemental variation in the intragrains(IGs)and at the grain boundaries(GBs)caused a band edge shift and bandgap(Eg)*** the absorber surface and subsurface,an upward Ec and Ev band bending structure was observed at the GBs,and the carrier separation was *** the absorber center,both upward Ec and Ev and downward Ec-upward Ev band bending structures were observed at the GBs,and the carrier separation was *** improve the carrier separation and suppress carrier recombination,an upward Ec and Ev band bending structure at the GBs is desirable.

关键词： carrier separation CZTSSe flexible solar cell local current surface potential

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Ag-GST/HfO_(x)-based unidirectional threshold switching selector with low leakage current and threshold voltage distribution for high-density cross-point arrays

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Rare Metals 2024年第1期43卷 280-288页

作者： Kyoung-Joung Yoo dae-Yun Kang Nahyun Kim ho-Jin Lee Ta-Hyeong Kim Taeho Kim Tae Geun Kim School of Electrical Engineering Korea UniversitySeoul 02841Republic of Korea

The use of electrochemical-metallization-based volatile threshold switching selectors in cross-point arrays has been widely explored owing to their high on-off ratios and simple ***,these devices are unsuitable for cross-point architectures because of the difficulty in controlling the random filament formation that results in large fluctuations in the threshold voltage during *** this study,we investigated the unidirectional threshold transition characteristics associated with an Ag/GST/HfO_(x)/Pt-based bilayer selector and demonstrated the occurrence of a low leakage current(hold voltage(Δ0.11 V).The bilayer structure could control the filament formation in the intermediate state through the insertion of an HfO_(x) tunneling *** stacking a bilayer selector with NiO_(x)based resistive random-access memory,the leakage and programming currents of the device could be significantly *** the crossbar array configuration,we performed equivalent circuit analysis of a one-selector oneresistor(1S1R) devices and estimated the optimal array size to demonstrate the applicability of the proposed *** maximum acceptable crossbar array size of the 1S1R device with the Ag/GST/HfO_(x)/Pt/Ti/NiO_(x)/Pt structure was 5.29×10^(14)(N^(2),N=2.3×10^(7)).

关键词： Selector device Tunneling barrier Threshold switching Sputtering 1S1R Cross-point array

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In-situ formation of MOF derived mesoporous Co3N/amorphous N-doped carbon nanocubes as an efficient electrocatalytic oxygen evolution reaction

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Nano Research 2019年第7期12卷 1605-1611页

作者： Bong Kyun Kang Seo Young Im Jooyoung Lee Sung hoon Kwag Seok Bin Kwon SintayehuNibret Tiruneh Min-Jun Kim Jung ho Kim Woo Seok Yang Byungkwon Lim dae ho yoon Nano Materials and Components Research Center Korea Electronics Technology InstituteSeongnam 463-816Republic of Korea School of Advanced Materials Science and Engineering Sungkyunkwan University Suwon 440-746Republic of Korea Advanced Materials & Processing Center Institute for Advanced Engineering (IAE)Yongin 175-28Republic of Korea Australian Institute for Innovative Materials (AIIM) University of WollongongSquires WayNorth Wollongong NSW 2500Australia Department of Advanced Materials Engineering for Information and Electronics Kyung Hee University1732 Deogyeong-daeroGiheung-guYongin-siGyeonggi-do17104Republic of Korea

The suitable materials,metal nitrides,are a promising class of electrocatalyst materials for a highly efficient oxygen evolution reaction (OER) because they exhibit superior intrinsic conductivity and have higher sustainability than oxide-based *** our knowledge,for the first time,we report a designable synthesis of three-dimensional (3D) and mesoporous Co3N@ amorphous N-doped carbon (AN-C) nanocubes (NCs) with well-controlled open-framework structures via monodispersed Co3[Co(CN)6]2 Prussian blue analogue (PBA) NC precursors using in situ nitridation and calcination ***3N@AN-C NCs (2 h) demonstrate better OER activity with a remarkably low Tafel plot (69.6 mV-dec-1),low overpotential of 280 mV at a current density of 10 ***,excellent cycling stability in alkaline electrolytes was exhibited without morphological changes and voltage elevations,superior to most reported hierarchical structures of transition-metal nitride *** presented strategy for synergy effects of metal-organic frameworks (MOFs)-derived transition-metal nitrides-carbon hybrid nanostructures provides prospects for developing high-performance and advanced electrocatalyst materials.

关键词： transition-metal nitride metal organic framework mesoporous oxygen evaluation reaction alkaline water electrolysis

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Flower morphology of Allium(Amaryllidaceae)and its systematic significance

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Plant Diversity 2024年第1期46卷 3-27页

作者： Ju Eun Jang Shukherdorj Baasanmunkh Nudkhuu Nyamgerel Seung-yoon Oh Jun-ho Song Ziyoviddin Yusupov Komijlon Tojibaev Hyeok Jae Choi Department of Biology and Chemistry Changwon National UniversityChangwon51140Republic of Korea Department of Forest Biodiversity and Herbarium Korea National ArboretumPocheon11186Republic of Korea Department of Biology Chungbuk National UniversityCheongju28644Republic of Korea International Joint Lab for Molecular Phylogeny and Biogeography Institute of BotanyAcademy of Sciences of UzbekistanTashkent100125Uzbekistan

Allium is a complicated genus that includes approximately 1000 *** its morphology is well studied,the taxonomic importance of many morphological traits,including floral traits,are poorly ***,we examined and measured the floral characteristics of 87 accessions of 74 Allium taxa(belonging to 30 sections and nine subgenera)from Central to Eastern Asian *** then examined the taxonomic relationships between select flower characteristics and a phylogenetic tree based on ITS *** results confirm that floral morphology provides key taxonomic information to assess species delimitation in *** found that perianth color is an important characteristic within the ***,Polyprason,and *** ***,Cepa,and Rhizirideum,significant characteristics include ovary shape,perianth shape,and inner tepal *** species in ***,the key taxonomic character is ovule number(only one ovule in per locule).In the ***,Cepa,Polyprason,and Reticulatobulbosa,which belong to the third evolutionary line of Allium,hood-like appendages occur in the ovary,although these do not occur in *** results also indicated that the flower morphology of several species in some sections are not clearly distinguished,e.g.,***(***)and ***(***).This study provides detailed photographs and descriptions of floral characteristics and information on general distributions,habitats,and phenology of the studied taxa.

关键词： Allium Flower morphology Pistil character Statistical analysis Significant characteristic Species level

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Solar‑Driven Sustainability:Ⅲ–ⅤSemiconductor for Green Energy Production Technologies

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Nano-Micro Letters 2024年第11期16卷 445-478页

作者： Chandran Bagavath Jeong‑Kyun Oh Sang‑Wook Lee dae‑Young Um Sung‑Un Kim Veeramuthu Vignesh Jin‑Seo Park Shuo Han Cheul‑Ro Lee Yong‑ho Ra Division of Advanced Materials Engineering Engineering CollegeResearch Center for Advanced Materials Development(RCAMD)Jeonbuk National UniversityJeonju 54896Republic of Korea

Long-term societal prosperity depends on addressing the world’s energy and environmental problems,and photocatalysis has emerged as a viable *** the efficiency of photocatalytic processes is fundamentally achieved by optimizing the effective utilization of solar energy and enhancing the efficient separation of photogenerated *** has been demonstrated that the fabrication ofⅢ–Ⅴsemiconductor-based photocatalysts is effective in increasing solar light absorption,long-term stability,large-scale production and promoting charge *** focused review explores on the current developments inⅢ–Ⅴsemiconductor materials for solar-powered photocatalytic *** review explores on various subjects,including the advancement ofⅢ–Ⅴsemiconductors,photocatalytic mechanisms,and their uses in H2 conversion,CO_(2)reduction,environmental remediation,and photocatalytic oxidation and reduction *** order to design heterostructures,the review delves into basic concepts including solar light absorption and effective charge *** also highlights significant advancements in green energy systems for water splitting,emphasizing the significance of establishing eco-friendly systems for CO_(2)reduction and hydrogen *** main purpose is to produce hydrogen through sustainable and ecologically friendly energy *** review intends to foster the development of greener and more sustainable energy source by encouraging researchers and developers to focus on practical applications and advancements in solar-powered photocatalysis.

关键词： Green energy system Hydrogen evolution CO_(2)reduction Ⅲ-Ⅴsemiconductors Photo electrochemical water splitting

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