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Machine learning empowers efficient design of ternary organic solar cells with PM6 donor

journal of Energy Chemistry 2025年第1期100卷 337-347页

作者： ki.an A.Nirmal Tukaram D.Dongale Santosh S.Sutar Atul C.Khot tae Geun ki. School of Electrical Engineering Korea UniversityAnam-ro 145Seongbuk-guSeoulRepublic of Korea Computational Electronics and Nanoscience Research Laboratory School of Nanoscience and BiotechnologyShivaji UniversityKolhapur 416004India Yashwantrao Chavan School of Rural Development Shivaji UniversityKolhapur 416004India

Organic solar cells(OSCs) hold great potential as a photovoltaic technology for practical ***, the traditional experimental trial-and-error method for designing and engineering OSCs can be complex, expensive, and time-consuming. Machine learning(ML) techniques enable the proficient extraction of information from datasets, allowing the development of realistic models that are capable of predicting the efficacy of materials with commendable accuracy. The PM6 donor has great potential for high-performance OSCs. However, it is crucial for the rational design of a ternary blend to accurately forecast the power conversion efficiency(PCE) of ternary OSCs(TOSCs) based on a PM6 ***, we collected the device parameters of PM6-based TOSCs and evaluated the feature importance of their molecule descriptors to develop predictive models. In this study, we used five different ML algorithms for analysis and prediction. For the analysis, the classification and regression tree provided different rules, heuristics, and patterns from the heterogeneous dataset. The random forest algorithm outperforms other prediction ML algorithms in predicting the output performance of PM6-based TOSCs. Finally, we validated the ML outcomes by fabricating PM6-based TOSCs. Our study presents a rapid strategy for assessing a high PCE while elucidating the substantial influence of diverse descriptors.

关键词： Machine learning Ternary organic solarcells PM6 donor PCE

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Prominent cycling reversibility and ki.etics enabled by CaTiO_(3) protective layer on Zn metal for aqueous Zn-ion batteries

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journal of Energy Chemistry 2025年第1期100卷 245-258页

作者： Gaeun Lee Yong Nam Ahn Seongjoon So Chanwoo Park jong-Seong Bae taehyun Park Il tae ki. jaehyun Hur School of Chemical Biologicaland Battery EngineeringGachon UniversitySeongnamGyeonggi 13120Republic of Korea Busan Center Korea Basic Science InstituteBusan 46742Republic of Korea

Aqueous Zn-ion batteries (AZIBs) have received considerable attention owing to their various advantages such as safety,low cost,simple battery assembly conditions,and high ionic ***,they still suffer from serious problems,including uncontrollable dendrite growth,corrosion,hydrogen evolution reaction (HER) from water decomposition,electrode passivation,and unexpected *** creation of a uniform artificial nanocrystal layer on the Zn anode surface is a promising strategy for resolving these ***,we propose the use of a perovski.e CaTiO_(3)(CTO) protective layer on Zn(CTO@Zn) as a promising approach for improving the performance of *** CTO artificial layer provides an efficient pathway for Zn ion diffusion towards the Zn metal because of the high dielectric constant (εr=180) and ferroelectric characteristics that enable the alignment of dipole moments and redistribute the Zn^(2+)ions in the CTO *** avoiding the direct contact of the Zn anode with the electrolyte solution,the uneven dendrite growth,corrosion,parasitic side reactions,and HER are mitigated,while CTO retains its mechanical and chemical robustness during ***,CTO@Zn demonstrates an improved lifespan in a symmetric cell configuration compared with bare ***@Zn shows steady overpotential (~68 m V) for 1500 h at 1 mA cm^(-2)/0.5 mA h cm^(-2),excelling bare ***,when paired with the V_(2)O_(5)-C cathode,the CTO@Zn//V_(2)O_(5)-C full battery delivers 148.4 mA h g^(-1)(based on the mass of the cathode) after 300 *** study provides new insights into Zn metal anodes and the development of high-performance AZIBs.

关键词： CaTiO_(3) Artificial layer Dielectric constant Znmetal anode Zinc aqueous battery

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Extraction of rare earth elements from neodymium(NdFeB) magnet scrap using magnesium halides

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journal of Rare Earths 2025年第2期43卷 371-376页

作者： Sung Gue Heo jae Yeol Yang Soong ju Oh Seok-jun Seo Mi Hye Lee Kyoung-tae Park Korea Institute for Rare Metals Korea Institute of Industrial Technology Department of Materials Science and Engineering Korea University

The demand for neodymium（NdFeB） permanent magnets for electric vehicles and eco-friendly generators is ***,NdFeB magnets contain rare earth elements（REEs）,which are limited in *** this study,we performed an exchange reaction between magnesium halides（fluoride and chloride） and waste NdFeB scrap and then compared the characteristics of the extracted halides *** compositions of the ternary Mg fluoride（LiF:NaF:MgF2=50:40:10 in mole ratio） and chloride（LiCl:NaCl:MgCl2=10:50:40 in mole ratio） salts were thermodynamically determined for achieving low eutectic *** reactions between the NdFeB scrap powder（1-2 mm） and Mg halide salts were carried out at 1073 and 873 K for the fluoride and chloride systems,respectively,in an argon *** the reaction,we separated Nd halide from the residual salt and evaluated the Ndextraction *** phase formation of the salt was analyzed using X-ray diffraction（XRD）,and the extraction rate of Nd was analyzed using inductively coupled plasma optical emission spectroscopy（ICPOES）.Nd was extracted in the form of Nd halide（NdF3or NdCl3）,and the extraction rates in the fluoride and chloride systems are 98.64% and 84.59%,***,the fluoride system is more effective than the chloride system for Nd *** study provides a comprehensive comparative analysis of the effectiveness of fluo ride and chlo ride systems in extracting REEs from NdFeB magnet *** study findings can be used to develop an effective method for recycling magnet scraps.

关键词： Fluoride system Magnesium halide Metal-scrap recycling Nd extraction Neodymium magnet Rare earth elements

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New para-magnetic(CoFeNi)(50)(CrMo)(50-x)(CB)x(x=20,25,30)non-equiatomic high entropy metallic glasses with wide supercooled liquid region and excellent mechanical properties

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journal of Materials Science & Technology 2020年第8期36卷 135-143页

作者： j.ong tae ki. Sung Hwan Hong jin Man Park jürgen Eckert ki.Buem ki. Erich Schmid Institute of Materials Science Austrian Academy of Sciences(ÖAW)Jahnstrae 128700LeobenAustria Hybrid Materials Center(HMC) Department of Nanotechnology and Advanced Materials EngineeringSejong University209Neungdong-roGwangjin-guSeoul143-747Republic of Korea Global Technology Center(GTC) Samsung Electronics Co.Ltd129 Samsung-roYeongtong-guSuwonsiGyeonggi-do443-742Republic of Korea Department of Materials Science Chair of Materials PhysicsMontanuniversität LeobenJahnstraße 128700LeobenAustria

In this study,high entropy metallic glasses(HEMGs)were developed through a combination of concepts for designing metallic glasses(main element+transition metal+metalloid element)and high-entropy alloys(more than five elements,each element having an atomic concentration between 5 at.%and 35 at.%).The developed metallic glass alloys are composed of Co-Fe-Ni main elements,transition metals(Cr,Mo)and metalloid elements(C,B).Moreover,the present work reports the thermal,mechanical and magnetic properties of(CoFeNi)(50)(CrMo)(50-x)(CB)x alloys with x=20,25,*** developed as-spun HEMGs exhibit typical paramagnetic properties even for a high amount of ferromagnetic elements(Co,Fe,and Ni)and have high elastic modulus(103–160 GPa)and hardness(14–27 GPa),thus possessing mechanical properties similar to well-known Co-based metallic glasses(Co-Cr-Mo-C-B system).In addition,some of the bulk samples prepared with a diameter of 2 mm form bulk metallic glasses with a high compressive strength around 3.5 *** mechanisms determining the stability of the supercooled liquid,as well as the paramagnetic and mechanical properties for the developed non-equiatomic HEMGs,are discussed.

关键词： Metallic glasses Paramagnetism High entropy alloys Phase stability

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Aging Analysis Framework of Windows-Based Systems through Differential-Analysis of System Snapshots

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Computers, Materials & Continua 2022年第12期73卷 5091-5102页

作者： Eun-tae jang Sung Hoon Baek ki.Woong Park SysCore Lab Sejong UniversitySeoul05006Korea Department of Computer System Engineering Jungwon UniversityChungcheongbuk-do28024Korea

When aWindows-based system is used for an exceedingly long time,its performance degrades,and the error occurrence rate tends to *** is generally called system *** investigate the reasons for system aging,various studies have been conducted within the range of the operating system kernel to the user ***,finding an accurate reason for system performance degradation remains challenging research *** this study,system monitoring was conducted by dividing a system into‘before software installation,’‘after software installation,’and‘after software removal.’We confirmed that when a software installed in a system is removed,various system elements,such as storage and memory,are not restored to the level prior to the software ***,we established a hypothesis regarding the performance degradation of a computer system owing to repeated software installation/removal operations,investigated the correlation between system aging and repeated software installation/removal operations,and proposed a system aging analysis framework for analyzing the reason behind system *** the proposed system aging analysis framework,we aim to forcibly age a Windows-based system by repeating the software installation/removal operation by utilizing the system forced aging *** framework identifies the elements affecting system performance through a differential data analysis of the system time-series data extracted by the system performance extraction and system component snapshot ***,the aging analysis framework presented in this study is expected to be effectively utilized as an index for studying system aging.

关键词： System aging virtual machine system analysis

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Effects of humic acid on phytodegradation of petroleum hydrocarbons in soil simultaneously contaminated with heavy metals

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journal of Environmental Sciences 2011年第12期23卷 2034-2041页

作者： Soyoung Park ki.Seob ki. j.ong-tae ki. Daeseok Kang ki.une Sung Department of Ocean Engineering Pukyong National University Busan 608-737 Korea Department of Ecological Engineering Pukyong National University Busan 608-737 Korea

The use of humic acid （HA） to enhance the efficiency of phytodegradation of petroleum hydrocarbons in soil contaminated with diesel fuel was evaluated in this study. A sample of soil was artificially contaminated with commercially available diesel fuel to an initial total petroleum hydrocarbons （TPH） concentration of 2300 mg/kg and four heavy metals with concentrations of 400 mg/kg for Pb, 200 mg/kg for Cu, 12 mg/kg for Cd, and 160 mg/kg for Ni. Three plant species, Brassica campestris, Festuca arundinacea, and Helianthus annuus, were selected for the phytodegradation experiment. Percentage degradation of TPH in the soil in a control pot supplemented with HA increased to 45% from 30% without HA. The addition of HA resulted in an increases in the removal of TPH from the soil in pots planted with B. campestris, F. arundinacea, and H. annuus, enhancing percentage degradation to 86%, 64%, and 85% from 45%, 54%, and 66%, respectively. The effect of HA was also observed in the degradation of n-alkanes within 30 days. The rates of removal of n-alkanes in soil planted with B. campestris and H. annuus were high for n-alkanes in the range of C11–C28. A dynamic increase in dehydrogenase activity was observed during the last 15 days of a 30-day experimental period in all the pots amended with HA. The enhanced biodegradation performance for TPHs observed might be due to an increase in microbial activities and bioavailable TPH in soils caused by combined effects of plants and HA. The results suggested that HA could act as an enhancing agent for phytodegradation of petroleum hydrocarbons in soil contaminated with diesel fuel and heavy metals.

关键词： phytodegradation TPHs humic acid n-alkanes DHA combined effects

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Microbial influence on liver regeneration: understanding gut microbiota and hepatic recovery post partial hepatectomy

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Hepatobiliary Surgery and Nutrition 2024年第2期13卷 314-316页

作者： Satya Priya Sharma ki.tae Suk Institute for Liver and Digestive Diseases College of MedicineHallym UniversityChuncheonKorea

The liver is a unique solid organ with a regenerative capacity that is an important factor in the outcome of partial hepatectomy(PHx)performed to treat life-threating liver diseases(1-3).Multiple intrahepatic and extrahepatic signaling pathways synergistically regulate liver regeneration to restore typical liver functionality and thereby promote maximal life expectancy(2,4).Among the extrahepatic factors,gut metabolites are pivotal signaling molecules that affect the regulation of liver regeneration(5,6).Interestingly,dysbiosis of the gut microbiota due to disease or treatment strategies can influence liver regeneration negatively and delay recovery(7-9).In this empirical study,Yin et al.

关键词： Liver regeneration dysbiosis metabolites short-chain fatty acids(SCFAs) lipid biosynthesis

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Alcoholic liver disease: Treatment

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World journal of Gastroenterology 2014年第36期20卷 12934-12944页

作者： ki.tae Suk Moon Young ki. Soon Koo Baik Department of Internal Medicine Hallym University College of Medicine Chuncheon 200-704 South Korea Department of Internal Medicine Wonju College of Medicine Wonju Severance Christian Hospital Yonsei University Wonju 220-701 South Korea

The excess consumption of alcohol is associated with alcoholic liver diseases(ALD). ALD is a major healthcare problem, personal and social burden, and significant reason for economic loss worldwide. The ALD spectrum includes alcoholic fatty liver, alcoholic hepatitis, cirrhosis, and the development of hepatocellular carcinoma. The diagnosis of ALD is based on a combination of clinical features, including a history of significant alcohol intake, evidence of liver disease, and laboratory findings. Abstinence is the most important treatment for ALD and the treatment plan varies according to the stage of the disease. Various treatments including abstinence, nutritional therapy, pharmacological therapy, psychotherapy, and surgery are currently available. For severe alcoholic hepatitis, corticosteroid or pentoxifylline are recommended based on the guidelines. In addition, new therapeutic targets are being under investigation.

关键词： Liver disease Alcoholic Treatment

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Molecular mechanisms of chemopreventive phytochemicals against gastroenterological cancer development

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World journal of Gastroenterology 2013年第7期19卷 984-993页

作者： Min-Yu Chung tae Gyu Lim ki.Won Lee WCU Biomodulation Major Center for Food and BioconvergenceDepartment of Agricultural BiotechnologySeoul National UniversitySeoul 151-742South Korea Advanced Institutes of Convergence Technology Seoul National UniversitySuwon 443-270South Korea

Cancer is one of the leading causes of death *** used cancer treatments,including chemotherapy and radiation therapy,often have side effects and a complete cure is sometimes ***,prevention,suppression,and/or delaying the onset of the disease are *** onset of gastroenterological cancers is closely associated with an individual's ***,changing lifestyle,specifically the consumption of fruits and vegetables,can help to protect against the development of gastroenterological *** particular,naturally occurring bioactive compounds,including curcumin,resveratrol,isothiocyanates,(-)-epigallocatechin gallate and sulforaphane,are regarded as promising chemopreventive ***,regular consumption of these natural bioactive compounds found in foods can contribute to prevention,suppression,and/or delay of gastroenterological cancer *** this review,we will summarize natural phytochemicals possessing potential antioxidant and/or anti-inflammatory and anti-carcinogenic activities,which are exerted by regulating or targeting specific molecules against gastroenterological cancers,including esophageal,gastric and colon cancers.

关键词： Curcumin Resveratrol (-)-Epigallocatechin gallate Isothiocyanates Sulforaphane Gastroenterological cancers Molecular target

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Significance of gut microbiota in alcoholic and non-alcoholic fatty liver diseases

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World journal of Gastroenterology 2021年第37期27卷 6161-6179页

作者： Satya Priya Sharma ki.tae Suk Dong joon ki. Institute for Liver and Digestive Diseases Hallym University College of MedicineChuncheon 24252South Korea

Liver-gut communication is vital in fatty liver diseases,and gut microbes are the key regulators in maintaining liver *** alcohol abuse and persistent overnutrition create dysbiosis in gut ecology,which can contribute to fatty liver *** this review,we discuss the gut microbial compositional changes that occur in alcoholic and nonalcoholic fatty liver diseases and how this gut microbial dysbiosis and its metabolic products are involved in fatty liver disease *** also summarize the new approaches related to gut microbes that might help in the diagnosis and treatment of fatty liver disease.

关键词： Fatty liver disease Alcoholic fatty liver disease Non-alcoholic fatty liver disease Gut microbiome Dysbiosis

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