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High-throughput identification of one-dimensional atomic wires and first principles calculations of their electronic states

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Chinese Physics B 2021年第5期30卷 150-156页

作者： Feng Lu Jintao Cui Pan Liu Meichen Lin Yahui Cheng Hui Liu Weichao Wang kyeongjae cho Wei-Hua Wang Department of Electronic Science and Engineering and Tianjin Key Laboratory of Photo-Electronic Thin Film Device and TechnologyEngineering Research Center of Thin Film Optoelectronics Technology(Ministry of Education)Nankai UniversityTianjin 300350China Department of Material Science and Engineering the University of Texas at DallasRichardson75080USA

Low dimensional materials are suitable candidates applying in next-generation high-performance electronic,optoelectronic,and energy storage devices because of their uniquely physical and chemical *** particular,one-dimensional(1D)atomic wires(AWs)exfoliating from 1D van der Waals(vdW)bulks are more promising in next generation nanometer(nm)even sub-nm device applications owing to their width of few-atoms scale and free dandling bonds *** several 1D AWs have been experimentally prepared,few 1D AW candidates could be practically applied in devices owing to lack of enough suitable 1D ***,367 kinds of 1D AWs have been screened and the corresponding computational database including structures,electronic structures,magnetic states,and stabilities of these 1D AWs has been organized and *** these systems,unary and binary 1D AWs with relatively small exfoliation energy are thermodynamically stable and theoretically feasible to be *** significantly,rich quantum states emerge,such as 1D semiconductors,1D metals,1D semimetals,and 1D *** database will offer an ideal platform to further explore exotic quantum states and exploit practical device applications using 1D *** database are openly available at http://***/10.11922/sciencedb.j00113.00004.

关键词： high-throughput calculation one-dimensional atomic wires electronic structure first principles calculation

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Atomic disorders in layer structured topological insulator SnBi2Te4 nanoplates

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Nano Research 2018年第2期11卷 696-706页

作者： Yi-Chao Zou Zhi-Gang Chen Enze Zhang Fantai Kong Yan Lu Lihua Wang John Drennan Zhongchang Wang Faxian Xiu kyeongjae cho Jin Zou Materials Engineering University of Queensland Brisbane Australia Centre for Future Materials University of Southern Queensland Springfield Australia Laboratory of Surface Physics and Department of Physics and Collaborative Innovation Center of Advanced Microstructures Fudan University Shanghai China Department of Materials Science & Engineering the University of Texas at Dallas Richardson USA Beijing Key Lab of Microstructure and Property of Advanced Materials Institute of Microstructure and Properties of Advanced Materials Beijing University of Technology Beijing China Centre for Microscopy and Microanalysis University of Queensland Brisbane Australia WPI Advanced Institute for Materials Research Tohoku University Sendai Japan Quantum Materials Science and Technology Department International Iberian Nanotechnology Laboratory Braga Portugal

Identification of atomic disorders and their subsequent control has proven to be a key issue in predicting, understanding, and enhancing the properties of newly emerging topological insulator materials. Here, we demonstrate direct evidence of the cation antisites in single-crystal SnBi2Te4 nanoplates grown by chemical vapor deposition, through a combination of sub-angstr6m-resolution imaging, quantitative image simulations, and density functional theory calculations. The results of these combined techniques revealed a recognizable amount of cation antisites between Bi and Sn, and energetic calculations revealed that such cation antisites have a low formation energy. The impact of the cation antisites was also investigated by electronic structure calculations together with transport measurement. The topological surface properties of the nanoplates were further probed by angle-dependent magnetotransport, and from the results, we observed a two-dimensional weak antilocalization effect associated with surface carriers. Our approach provides a pathway to identify the antisite defects in ternary chalcogenides and the application potential of SnBi2Te4 nanostructures in next-generation electronic and spintronic devices.

关键词： metal chalcogenide antisite defect nanoplate scanning transmissionelectron microscop3~magnetotransport

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Materials Design on the Origin of Gap States in a High-κ/GaAs Interface

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Engineering 2015年第3期1卷 372-377页

作者： Weichao Wang Cheng Gong Ka Xiong Santosh K.C. Robert M.Wallace kyeongjae cho Department of Materials Science and Engineering The University of Texas at Dallas College of Electronic Information and Optical Engineering Nankai University

Given the demand for constantly scaling micro- electronic devices to ever smaller dimensions, a SiO2 gate dielectric was substituted with a higher dielectric-constant material, Hf（Zr）O2, in order to minimize current leakage through dielectric thin film. However, upon interfacing with high dielectric constant （high-κ） dielectrics, the electron mobility in the conventional Si channel degrades due to Coulomb scattering, surface-roughness scattering, remotephonon scattering, and dielectric-charge trapping.Ⅲ-Ⅴ and Ge are two promising candidates with superior mobility over Si. Nevertheless, Hf（Zr）O2/Ⅲ-Ⅴ（Ge） has much more complicated interface bonding than Si-based interfaces. Successful fabrication of a high-quality device critically depends on understanding and engineering the bonding configurations at Hf（Zr）O2/Ⅲ-Ⅴ（Ge） interfaces for the optimal design of device interfaces. Thus, an accurate atomic insight into the interface bonding and mechanism of interface gap states formation becomes essential. Here, we utilize first- principle calculations to investigate the interface between HfO2 and GaAs. Our study shows that As--As dimer bonding, Ga partial oxidation （between 3＋ and 1＋） and Ga- dangling bonds constitute the major contributions to gap states. These findings provide insightful guidance for optimum interface passivation.

关键词： high-mobility device high-κ/Ⅲ-Ⅴ interface interfacial gap states first-principle calculations

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A New Encryption Mechanism Supporting the Update of Encrypted Data for Secure and Efficient Collaboration in the Cloud Environment

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Computer Modeling in Engineering & Sciences 2025年第1期142卷 813-834页

作者： Chanhyeong cho Byeori Kim Haehyun cho Taek-Young Youn Department of Cyber Security Dankook UniversityYongin16890Republic of Korea Department of Software Soongsil UniversitySeoul07027Republic of Korea

With the rise of remote collaboration,the demand for advanced storage and collaboration tools has rapidly ***,traditional collaboration tools primarily rely on access control,leaving data stored on cloud servers vulnerable due to insufficient *** paper introduces a novel mechanism that encrypts data in‘bundle’units,designed to meet the dual requirements of efficiency and security for frequently updated collaborative *** bundle includes updated information,allowing only the updated portions to be reencrypted when changes *** encryption method proposed in this paper addresses the inefficiencies of traditional encryption modes,such as Cipher Block Chaining(CBC)and Counter(CTR),which require decrypting and re-encrypting the entire dataset whenever updates *** proposed method leverages update-specific information embedded within data bundles and metadata that maps the relationship between these bundles and the plaintext *** utilizing this information,the method accurately identifies the modified portions and applies algorithms to selectively re-encrypt only those *** approach significantly enhances the efficiency of data updates while maintaining high performance,particularly in large-scale data *** validate this approach,we conducted experiments measuring execution time as both the size of the modified data and the total dataset size *** show that the proposed method significantly outperforms CBC and CTR modes in execution speed,with greater performance gains as data size ***,our security evaluation confirms that this method provides robust protection against both passive and active attacks.

关键词： Cloud collaboration mode of operation data update efficiency

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Scalable Ir‑Doped NiFe_(2)O_(4)/TiO_(2)Heterojunction Anode for Decentralized Saline Wastewater Treatment and H_(2)Production

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Nano-Micro Letters 2025年第3期17卷 1-18页

作者： Sukhwa Hong Jiseon Kim Jaebeom Park Sunmi Im Michael R.Hoffmann Kangwoo cho Division of Environmental Science and Engineering Pohang University of Science and Technology(POSTECH)Pohang 790−784Korea Linde Laboratory California Institute of TechnologyPasadenaCA 91125USA Institute for Convergence Research and Education in Advanced Technology(I‑CREATE) Yonsei University International CampusIncheon 21983Republic of Korea

Wastewater electrolysis cells(WECs)for decentralized wastewater treatment/reuse coupled with H_(2)production can reduce the carbon footprint associated with transportation of water,waste,and energy *** study reports Ir-doped NiFe_(2)O_(4)(NFI,~5 at%Ir)spinel layer with TiO_(2)overlayer(NFI/TiO_(2)),as a scalable heterojunction anode for direct electrolysis of wastewater with circumneutral pH in a single-compartment *** dilute(0.1 M)NaCl solutions,the NFI/TiO_(2)marks superior activity and selectivity for chlorine evolution reaction,outperforming the benchmark IrO_(2).Robust operation in near-neutral pH was *** including operando X-ray absorption spectroscopy unveiled crucial roles of TiO_(2) which serves both as the primary site for Cl−chemisorption and a protective layer for NFI as an ohmic *** electrolysis of NH4+-laden synthetic wastewater demonstrated that NFI/TiO_(2)not only achieves quasi-stoichiometric NH_(4)^(+)-to-N_(2)conversion,but also enhances H_(2)generation efficiency with minimal competing reactions such as reduction of dissolved oxygen and reactive *** scaled-up WEC with NFI/TiO_(2)was demonstrated for electrolysis of toilet wastewater.

关键词： Wastewater electrolysis cell Ir-doped NiFe_(2)O_(4) Reactive chlorine species Decentralized H_(2)production On-site wastewater treatment

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Three-Stage Transfer Learning with AlexNet50 for MRI Image Multi-Class Classification with Optimal Learning Rate

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Computer Modeling in Engineering & Sciences 2025年第1期142卷 155-183页

作者： Suganya Athisayamani A.Robert Singh Gyanendra Prasad Joshi Woong cho School of Computing Sastra Deemed to be UniversityThanjavur613401India Department of Computational Intelligence SRM Institute of Science and TechnologyKattankulathur603203India Department of AI and Software Engineering Kangwon National UniversitySamcheok25913Republic of Korea Department of Electronics Information and Communication EngineeringKangwon National UniversitySamcheok25913Republic of Korea

In radiology,magnetic resonance imaging(MRI)is an essential diagnostic tool that provides detailed images of a patient’s anatomical and physiological *** is particularly effective for detecting soft tissue ***,radiologists manually interpret these images,which can be labor-intensive and time-consuming due to the vast amount of *** address this challenge,machine learning,and deep learning approaches can be utilized to improve the accuracy and efficiency of anomaly detection in MRI *** manuscript presents the use of the Deep AlexNet50 model for MRI classification with discriminative learning *** are three stages for learning;in the first stage,the whole dataset is used to learn the *** the second stage,some layers of AlexNet50 are frozen with an augmented dataset,and in the third stage,AlexNet50 with an augmented dataset with the augmented *** method used three publicly available MRI classification datasets:Harvard whole brain atlas(HWBA-dataset),the School of Biomedical Engineering of Southern Medical University(SMU-dataset),and The National Institute of Neuroscience and Hospitals brain MRI dataset(NINS-dataset)for *** hyperparameter optimizers like Adam,stochastic gradient descent(SGD),Root mean square propagation(RMS prop),Adamax,and AdamW have been used to compare the performance of the learning ***-dataset registers maximum classification *** evaluated the performance of the proposed classification model using several quantitative metrics,achieving an average accuracy of 98%.

关键词： MRI tumors classification AlexNet50 transfer learning hyperparameter tuning optimizer

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Solution‑Processed Thin Film Transparent Photovoltaics:Present Challenges and Future Development

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Nano-Micro Letters 2025年第2期17卷 566-600页

作者： Tianle Liu Munerah M.S.Almutairi Jie Ma Aisling Stewart Zhaohui Xing Mengxia Liu Bo Hou Yuljae cho UM-SJTU Joint Institute Shanghai Jiao Tong UniversityShanghai 200240People’s Republic of China School of Physics and Astronomy Cardiff UniversityCardiff CF243AAWalesUK Department of Electrical and Computer Engineering Yale UniversityNew HavenCT 06511USA Energy Sciences Institute Yale UniversityWest HavenCT 06516USA Future Photovoltaics Research Center Global Institute of Future TechnologyShanghai Jiao Tong UniversityShanghai 200240People’s Republic of China

Electrical energy is essential for modern society to sustain economic *** soaring demand for the electrical energy,together with an awareness of the environmental impact of fossil fuels,has been driving a shift towards the utilization of solar ***,traditional solar energy solutions often require extensive spaces for a panel installation,limiting their practicality in a dense urban *** overcome the spatial constraint,researchers have developed transparent photovoltaics(TPV),enabling windows and facades in vehicles and buildings to generate electric *** TPV advancements are focused on improving both transparency and power output to rival commercially available silicon solar *** this review,we first briefly introduce wavelength-and non-wavelengthselective strategies to achieve *** of merit and theoretical limits of TPVs are discussed to comprehensively understand the status of current TPV *** we highlight recent progress in different types of TPVs,with a particular focus on solution-processed thin-film photovoltaics(PVs),including colloidal quantum dot PVs,metal halide perovskite PVs and organic *** applications of TPVs are also reviewed,with emphasis on agrivoltaics,smart windows and ***,current challenges and future opportunities in TPV research are pointed out.

关键词： Transparent semiconductors Solution-processable transparent solar cell Emerging solar cell materials Buildingintegrated photovoltaics

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High mobility group box 1 in the central nervous system:regeneration hidden beneath inflammation

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Neural Regeneration Research 2025年第1期20卷 107-115页

作者： Hanki Kim Bum Jun Kim Seungyon Koh Hyo Jin cho Xuelian Jin Byung Gon Kim Jun Young choi Department of Brain Science Ajou University School of MedicineSuwonSouth Korea Department of Biomedical Sciences Ajou University Graduate School of MedicineSuwonSouth Korea Department of Neurology Ajou University School of MedicineSuwonSouth Korea Department of Geriatrics The Affiliated Suqian First People’s Hospital of Nanjing Medical UniversitySuqianJiangsu ProvinceChina

High-mobility group box 1 was first discovered in the calf thymus as a DNA-binding nuclear protein and has been widely studied in diverse fields,including neurology and ***-mobility group box 1 in the extracellular space functions as a pro-inflammatory damage-associated molecular pattern,which has been proven to play an important role in a wide variety of central nervous system disorders such as ischemic stroke,Alzheimer’s disease,frontotemporal dementia,Parkinson’s disease,multiple sclerosis,epilepsy,and traumatic brain *** drugs that inhibit high-mobility group box 1 as a damage-associated molecular pattern,such as glycyrrhizin,ethyl pyruvate,and neutralizing anti-high-mobility group box 1 antibodies,are commonly used to target high-mobility group box 1 activity in central nervous system *** it is commonly known for its detrimental inflammatory effect,high-mobility group box 1 has also been shown to have beneficial pro-regenerative roles in central nervous system *** this narrative review,we provide a brief summary of the history of high-mobility group box 1 research and its characterization as a damage-associated molecular pattern,its downstream receptors,and intracellular signaling pathways,how high-mobility group box 1 exerts the repair-favoring roles in general and in the central nervous system,and clues on how to differentiate the pro-regenerative from the pro-inflammatory *** targeting high-mobility group box 1 in the central nervous system may benefit from differentiating between the two functions rather than overall suppression of high-mobility group box 1.

关键词： central nervous system damage-associated molecular pattern ethyl pyruvate glycyrhizzin high mobility group box 1 inflammation neural stem cells neurodevelopment oligodendrocyte progenitor cells redox status regeneration

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Dual‑Donor‑Induced Crystallinity Modulation Enables 19.23% Efficiency Organic Solar Cells

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Nano-Micro Letters 2025年第3期17卷 376-388页

作者： Anhai Liang Yuqing Sun Sein Chung Jiyeong Shin Kangbo Sun Chaofeng Zhu Jingjing Zhao Zhenmin Zhao Yufei Zhong Guangye Zhang Kilwon cho Zhipeng Kan Center On Nanoenergy Research Institute of Science and Technology for Carbon Peak&NeutralitySchool of Physical Science&TechnologyGuangxi UniversityNanning 530004People’s Republic of China Department of Chemical Engineering Pohang University of Science and TechnologyPohang 37673South Korea College of New Materials and New Energies Shenzhen Technology UniversityShenzhen 518118People’s Republic of China Zhejiang Engineering Research Center for Fabrication and Application of Advanced Photovoltaic Materials School of Materials Science and EngineeringNingboTech UniversityNingbo 315100People’s Republic of China State Key Laboratory of Featured Metal Materials and Life-Cycle Safety for Composite Structures Nanning 530004People’s Republic of China

Trap-assisted charge recombination is one of the primary limitationsof restricting the performance of organic solar cells. However, effectivelyreducing the presence of traps in the photoactive layer remains ***, wide bandgap polymer donor PTzBI-dF is demonstrated as an effectivemodulator for enhancing the crystallinity of the bulk heterojunction active layerscomposed of D18 derivatives blended with Y6, leading to dense and orderedmolecular packings, and thus, improves photoluminescence quenching *** a result, the photovoltaic devices exhibit reduced trap-assisted charge recombinationlosses, achieving an optimized power conversion efficiency of over 19%.Besides the efficiency enhancement, the devices comprised of PTzBI-dF as athird component simultaneously attain decreased current leakage, improved chargecarrier mobilities, and suppressed bimolecular charge recombination, leading toreduced energy losses. The advanced crystalline structures induced by PTzBI-dFand its characteristics, such as well-aligned energy level, and complementaryabsorption spectra, are ascribed to the promising performance *** findings suggest that donor phase engineering is a feasible approach to tuning the molecular packings in the active layer, providingguidelines for designing effective morphology modulators for high-performance organic solar cells.

关键词： Trap-assisted charge recombination Photoluminescence Miscibility Current leakage Power conversion efficiency

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GENUS MINIMIZING IN SYMPLECTIC 4-MANIFOLDS

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Chinese Annals of Mathematics,Series B 2000年第1期21卷 115-120页

作者： cho YONGSEUNG cho MISUNG Department of Mathematics Ewha Women’s University Seoul Korea

The authors show that a symplectically embedded surface in a symplectic 4-manifold with hi greater than one minimizes genus in its homology class.

关键词： Generalized Thom Conjecture Seiberg-Witten invariant Symplectic 4-manifolds

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