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Room-Temperature Ferromagnetism via Superexchange in Semiconductor(Cr_(4/6),Mo_(2/6))_(3)Te_(6)
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作者 Jia-Wen Li Gang Su bo gu 《Chinese Physics Letters》 2025年第9期146-162,共17页
Realizing ferromagnetic semiconductors with high Curie temperature TC is still a challenge in spintronics.Recent experiments have reported two-dimensional(2D)room temperature ferromagnetic metals,such as monolayer Cr_... Realizing ferromagnetic semiconductors with high Curie temperature TC is still a challenge in spintronics.Recent experiments have reported two-dimensional(2D)room temperature ferromagnetic metals,such as monolayer Cr_(3)Te_(6).In this paper,through density functional theory(DFT)calculations,we propose a method to obtain 2D high TC ferromagnetic semiconductors through element replacement in these ferromagnetic metals.We predict that monolayer(Cr_(4/6),Mo_(2/6))_(3)Te_(6),created via element replacement in monolayer Cr_(3)Te_(6),is a room-temperature ferromagnetic semiconductor exhibiting a band gap of 0.34 eV and a TC of 384 K.Our analysis reveals that the metal-to-semiconductor transition stems from the synergistic interplay of Mo-induced lattice distortion,which resolves band overlap,and the electronic contributions of Mo dopants,which further drive the formation of a distinct band gap.The origin of the high TC is traced to strong superexchange coupling between magnetic ions,analyzed via the superexchange model with DFT and Wannier function calculations.Considering the fast developments in fabrication and manipulation of 2D materials,our theoretical results propose an approach to explore high-temperature ferromagnetic semiconductors derived from experimentally obtained 2D high-temperature ferromagnetic metals through element replacement. 展开更多
关键词 ferromagnetic semiconductors ferromagnetic metalswe MONOLAYER density functional theory dft calculationswe room temperature ferromagnetism element replacement ferromagnetic metalssuch SEMICONDUCTOR
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High temperature magnetic semiconductors: narrow band gaps and two-dimensional systems 被引量:2
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作者 bo gu 《Journal of Semiconductors》 EI CAS CSCD 2019年第8期36-44,共9页
Magnetic semiconductors have been demonstrated to work at low temperatures, but not yet at room temperature for spin electronic applications. In contrast to the p-type diluted magnetic semiconductors, n-type diluted m... Magnetic semiconductors have been demonstrated to work at low temperatures, but not yet at room temperature for spin electronic applications. In contrast to the p-type diluted magnetic semiconductors, n-type diluted magnetic semiconductors are few. Using a combined method of the density function theory and quantum Monte Carlo simulation, we briefly discuss the recent progress to obtain diluted magnetic semiconductors with both p- and n-type carriers by choosing host semiconductors with a narrow band gap. In addition, the recent progress on two-dimensional intrinsic magnetic semiconductors with possible room temperature ferromangetism and quantum anomalous Hall effect are also discussed. 展开更多
关键词 magnetic SEMICONDUCTOR NARROW BAND GAP two DIMENSIONAL systems
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Possible Room-Temperature Ferromagnetic Semiconductors
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作者 尤景阳 董雪娟 +1 位作者 顾波 苏刚 《Chinese Physics Letters》 SCIE EI CAS CSCD 2023年第6期67-76,共10页
Magnetic semiconductors integrate the dual characteristics of magnets and semiconductors.It is difficult to manufacture magnetic semiconductors that function at room temperature.Here,we review a series of our recent t... Magnetic semiconductors integrate the dual characteristics of magnets and semiconductors.It is difficult to manufacture magnetic semiconductors that function at room temperature.Here,we review a series of our recent theoretical predictions on room-temperature ferromagnetic semiconductors.Since the creation of two-dimensional(2D)magnetic semiconductors in 2017,there have been numerous developments in both experimental and theoretical investigations.By density functional theory calculations and model analysis,we recently predicted several2D room-temperature magnetic semiconductors,including CrGeSe_(3)with strain,CrGeTe_(3)/PtSe_(2) heterostructure,and technetium-based semiconductors(TcSiTe_(3),TcGeSe_(3),and TcGeTe_(3)),as well as PdBr_(3)and PtBr_(3)with a potential room-temperature quantum anomalous Hall effect.Our findings demonstrated that the Curie temperature of these 2D ferromagnetic semiconductors can be dramatically enhanced by some external fields,such as strain,construction of heterostructure,and electric field.In addition,we proposed appropriate doping conditions for diluted magnetic semiconductors,and predicted the Cr doped GaSb and InSb as possible room-temperature magnetic semiconductors. 展开更多
关键词 TEMPERATURE MAGNETIC FERROMAGNETIC
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Interruptible Load Management Strategy Based on Chamberlain Model
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作者 Zhaoyuan Xie Xiujuan Li +3 位作者 Tao Xu Minghao Li Wendong Deng bo gu 《国际计算机前沿大会会议论文集》 2018年第1期41-41,共1页
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Regulation of P450 TleB catalytic flow for the synthesis of sulfur-containing indole alkaloids by substrate structure-directed strategy and protein engineering 被引量:1
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作者 Xinying Ge Yan Long +7 位作者 Jun Wang bo gu Zixuan Yang Yinyin Feng Shuo Zheng Yingying Li Wupeng Yan Heng Song 《Science China Chemistry》 SCIE EI CAS CSCD 2023年第11期3232-3241,共10页
Indole alkaloids have attracted considerable attention from synthetic chemists and biochemists for their structural diversity and important biological activities.Compared with traditional organic synthesis methods,the... Indole alkaloids have attracted considerable attention from synthetic chemists and biochemists for their structural diversity and important biological activities.Compared with traditional organic synthesis methods,the strategy of using cytochrome P450s'extraordinary abilities to selectively activate carbon-hydrogen bonds to assist in the synthesis of various indole alkaloids has the characteristics of short synthetic route,mild conditions and high atomic economy.Here,we utilized P450 monooxygenases HinD and TleB to synthesize a novel 6/5/8 tricyclic product from(S)-N-((S)-1-(4-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl)-2-mercapto-3-methylbutanamide through the substrate structure-directed strategy.TleB was more effective in catalyzing C–S coupling,and was used to synthesize a series of 6/5/8 tricyclic indololactam derivatives to provide drug candidates.Interestingly,the S–S coupling product was observed in HinD catalysis,which was a minor product in the wild-type TleB catalysis.With the help of protein engineering,we accurately regulated the catalytic flow and reversed the selectivity of TleB to obtain the S–S coupling product.At the same time,the reaction mechanism was reasonably speculated by means of site blocking and protein-substrate complex analysis. 展开更多
关键词 substrate structure-directed strategy P450s coupling reaction thioindole alkaloids
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Ferromagnetic semiconductor nanotubes with room Curie temperatures
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作者 Jia-Wen Li Gang Su bo gu 《npj Computational Materials》 2025年第1期3165-3179,共15页
Realizing ferromagnetic semiconductors with high Curie temperature TC remains a challenge in spintronics.Recent experiments have obtained some two-dimensional(2D)room temperature ferromagnetic metals,such as monolayer... Realizing ferromagnetic semiconductors with high Curie temperature TC remains a challenge in spintronics.Recent experiments have obtained some two-dimensional(2D)room temperature ferromagnetic metals,such as monolayers CrS_(2)and VSe_(2).Inspired by the recent experimental progress on the nanotubes based on 2D van der Waals non-magnetic transition-metal dichalcogenides,magnetic nanotubes based on monolayer ferromagnetic materials are highly possible.Here,by the density functional theory calculations,we proposed a way to obtain a high TC ferromagnetic semiconductor in magnetic nanotubes.Some high TC ferromagnetic semiconductors are predicted in the MX_(2)nanotubes(M=V,Cr,Mn,Fe,Co,Ni;X=S,Se,Te),including CrS_(2)and CrTe_(2)zigzag nanotubes with a diameter of 18 unit cells,showing TC above 300 K.In addition,due to the strain gradient in the walls of nanotubes,an electrical polarization at the level of 0.1 eV/Åinward of the radial direction is obtained.Our results propose a way to obtain high-temperature ferromagnetic semiconducting nanotubes based on experimentally obtained 2D high TC ferromagnetic metals. 展开更多
关键词 ferromagnetic semiconductors NANOTUBES SPINTRONICS ferromagnetic metalssuch density functional theory calculationswe room temperature ferromagnetism curie temperature monolayer ferromagnetic materials
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Polarity Sensitive and H_(2)O_(2)/Lipid Droplets Sequence-Activated Asymmetric Cyanine Probe Achieves Multi-marker Imaging of Atherosclerosis
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作者 Weihua Wang Han Zhu +4 位作者 bo gu Yongze Xie Xinlei Xu Shu-Lin Liu Heng Song 《Chinese Journal of Chemistry》 2025年第11期1246-1254,共9页
Comprehensive Summary.Atherosclerosis is a lipoprotein-driven disease.In-depth understanding of pathology and accurate identification are particularly important in clinical assessment and treatment due to the irrevers... Comprehensive Summary.Atherosclerosis is a lipoprotein-driven disease.In-depth understanding of pathology and accurate identification are particularly important in clinical assessment and treatment due to the irreversibility of atherosclerotic plaque formation.Atherosclerosis is not only accompanied by lipid droplets accumulation but also closely related to inflammation,which is accompanied by excessive reactive oxygen species(ROS)and changes in microenvironment.However,there is still a lack of a simple and rapid detection platform to simultaneously evaluate multiple indicators of atherosclerosis in multiple channels.In this study,we propose a multicolor imaging probe Cy7P-B for polarity,H_(2)O_(2) and lipid droplets to evaluate atherosclerotic plaques in vivo.Cy7P-B is sensitive to environmental polarity and can monitor polarity changes by near-infrared ratio.Moreover,Cy7P-B has H_(2)O_(2)/lipid droplets dual-analyte sequential activation characteristics.Based on the multifunctional properties of Cy7P-B,the classical biomarkers of atherosclerotic plaque,lipid accumulation and up-regulation of oxidative stress are effectively detected in atherosclerotic plaques,and more importantly,the change of aortic polarity in atherosclerosis was detected for the first time.This work provides a general molecular design approach for multi-species imaging of AS,which is helpful for effective cardiovascular disease stewardship. 展开更多
关键词 ATHEROSCLEROSIS Polarity H_(2)O_(2) Lipid droplets Asymmetric cyanine BIOIMAGING BIOSENSOR Fluorescent probes
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A“Four Diagnostic Methods”framework for assisting doctors in traditional Chinese medicine
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作者 bo gu 《Advances in Engineering Innovation》 2025年第8期83-91,共9页
Large-Scale Language Models(LLMs)have initiated transformative changes in Traditional Chinese Medicine(TCM),yet existing LLM-based diagnostic approaches face challenges such as prolonged training cycles and high imple... Large-Scale Language Models(LLMs)have initiated transformative changes in Traditional Chinese Medicine(TCM),yet existing LLM-based diagnostic approaches face challenges such as prolonged training cycles and high implementation costs due to reliance on medical expertise.To address this,we propose a systematic framework integrating multimodal data and LLM technologies.First,we analyze bottlenecks in traditional diagnosis(e.g.,subjectivity)and modernization challenges.The framework leverages open-s ource foundation models(e.g.,Baichuan2,LLaMA)pre-trained on"symptom-syndrome-medication"associations,fine-tuned with clinical data to simulate diagnostic workflows.Key components include:(1)a Data Input Layer capturing tongue image features(via YOLOv5s6/U-Net),speech spectra,BERT-encoded inquiry texts,and pulse waveforms;(2)a Feature Fusion Layer constructing syndrome differentiation vectors through multimodal feature concatenation;and(3)a Prediction&Feedback Layer generating diagnostic probabilities with reinforcement learning based on clinical efficacy.Finally,we discuss critical issues,including risks of physician replacement,professional competence degradation,and liability attr ibution in diagnostic errors.This framework aims t o enhance TCM diagnostic efficiency while ensuring clinical reliability. 展开更多
关键词 TCM Four diagnostic methods large-scale language models multimodal fusion clinical diagnostic framework reinforcement learning
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A toughness based deformation limit for X- and K-joints under brace axial tension 被引量:3
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作者 bo gu Xudong QIAN Aziz AHMED 《Frontiers of Structural and Civil Engineering》 SCIE EI CSCD 2016年第3期345-362,共18页
This study reports a deformation limit for the initiation of ductile fracture failure in fatigue-cracked circular hollow section (CHS) X- and K-joints subjected to brace axial tension. The proposed approach sets the... This study reports a deformation limit for the initiation of ductile fracture failure in fatigue-cracked circular hollow section (CHS) X- and K-joints subjected to brace axial tension. The proposed approach sets the deformation limit as the numerically computed crack driving force in a fatigue crack at the hot-spot location in the tubular joint reaches the material fracture toughness measured from standard fracture specimens. The calibration of the numerical procedure predicates on reported numerical computations on the crack driving force and previously published verification study against large-scale CHS X-joints with fatigue generated surface cracks. The development of the deformation limit includes a normalization procedure, which covers a wide range of the geometric parameters and material toughness levels. The lower-bound deformation limits thus developed follow a linear relationship with respect to the crack-depth ratio for both X- and K-joints. Comparison of the predicated deformation limit against experimental on cracked tubular X- and K- joints demonstrates the conservative nature of the proposed deformation limit. The proposed deformation limit, when extrapolated to a zero crack depth, provides an estimate on the deformation limits for intact X- and K-joints under brace axial loads. 展开更多
关键词 circular hollow section (CHS) tubular joint fracture failure deformation limit J-INTEGRAL
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High temperature ferrimagnetic semiconductors by spin-dependent doping in high temperature antiferromagnets 被引量:1
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作者 Jia-Wen Li Gang Su bo gu 《npj Computational Materials》 CSCD 2024年第1期1116-1125,共10页
To realize room temperature ferromagnetic(FM)semiconductors is still a challenge in spintronics.Many antiferromagnetic(AFM)insulators and semiconductors with high Neel temperature TN are obtained in experiments,such a... To realize room temperature ferromagnetic(FM)semiconductors is still a challenge in spintronics.Many antiferromagnetic(AFM)insulators and semiconductors with high Neel temperature TN are obtained in experiments,such as LaFeO_(3),BiFeO_(3),etc.High concentrations of magnetic impurities can be doped into these AFM materials,but AFM state with very tiny net magnetic moments was obtained in experiments because the magnetic impurities were equally doped into the spin up and down sublattices of the AFM materials.Here,we propose that the effective magnetic field provided by a FM substrate could guarantee the spin-dependent doping in AFM materials,where the doped magnetic impurities prefer one sublattice of spins,and the ferrimagnetic(FIM)materials are obtained.To demonstrate this proposal,we study the Mn-doped AFM insulator LaFeO_(3)with FM substrate of Fe metal by the density functional theory(DFT)calculations. 展开更多
关键词 materials MAGNETIC high
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The Roles of acyI-CoA: Diacylglycerol Acyltransferase 2 Genes in the Biosynthesis of Triacylglycerols by the Green Algae Chlamydomonas reinhardtii 被引量:11
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作者 Xiao-Dong Deng bo gu +3 位作者 Ya-Jun Li Xin-Wen Hu Jian-Chun guo Xiao-Wen Fei 《Molecular Plant》 SCIE CAS CSCD 2012年第4期945-947,共3页
Dear Editor, Triacylglycerols (triglycerides) (TAGs), as the major storage forms of energy, mainly are stored in adipocytes, myocytes, enterocytes, hepatocytes, and mammary epithelial cells in mammals, oilseeds i... Dear Editor, Triacylglycerols (triglycerides) (TAGs), as the major storage forms of energy, mainly are stored in adipocytes, myocytes, enterocytes, hepatocytes, and mammary epithelial cells in mammals, oilseeds in plants, and lipid droplets in microorgan- isms (Yen et al., 2008). Aside from energy storage, TAGs have essential functions in multiple physiological processes. In plants, TAGs are crucial for seed oil accumulation, germina- tion, and seedling development (Zhang et al., 2005, 2009). Notably, TAGs derived from plants and microorganisms could serve as the feedstock for biofuels production (Deng et al., 2009). Therefore, understanding of the molecular basis of TAGs bio- synthesis and storage is of considerable economic importance. 展开更多
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Survey of Safety Management Approaches to Unmanned Aerial Vehicles and Enabling Technologies 被引量:1
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作者 Xuejun Zhang Yanshuang Du +2 位作者 bo gu guoqiang Xu Yongxiang Xia 《Journal of Communications and Information Networks》 2018年第4期1-14,共14页
Unmanned aerial vehicle(UAV)has a rapid development over the last decade.However,an increasing number of severe flight collision events caused by explosive growth of UAV have drawn widespread concern.It is an importan... Unmanned aerial vehicle(UAV)has a rapid development over the last decade.However,an increasing number of severe flight collision events caused by explosive growth of UAV have drawn widespread concern.It is an important issue to investigate safety management approaches of UAVs to ensure safe and efficient operation.In this paper,we present a comprehensive overview of safety management approaches in large,middle and small scales.In large-scale safety management,path-planning problem is a crucial issue to ensure safety and ordered operation of UAVs globally.In middle-scale safety management,it is an important issue to study the conflict detection and resolution methods.And in small-scale safety management,real-time collision avoidance is the last line of ensuring safety.Moreover,a UAV can be regarded as a terminal device connected through communication and information network.Therefore,the enabling technologies,such as sensing,command and control communication,and collaborative decision-making control technology,have been studied in the last. 展开更多
关键词 UAV safety management PATH-PLANNING conflict detection and resolution collision avoidance enabling technologies
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Superconducting,Topological,and Transport Properties of Kagome Metals CsTi_(3)Bi_(5)and RbTi_(3)Bi_(5)
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作者 Xin-Wei Yi Zheng-Wei Liao +2 位作者 Jing-Yang You bo gu Gang Su 《Research》 SCIE EI CSCD 2024年第2期753-762,共10页
The recently discovered ATi_(3)Bi_(5)(A=Cs,Rb)exhibit intriguing quantum phenomena including superconductivity,electronic nematicity,and abundant topological states.ATi_(3)Bi_(5)present promising platforms for studyin... The recently discovered ATi_(3)Bi_(5)(A=Cs,Rb)exhibit intriguing quantum phenomena including superconductivity,electronic nematicity,and abundant topological states.ATi_(3)Bi_(5)present promising platforms for studying kagome superconductivity,band topology,and charge orders in parallel with AV3Sb5.In this work,we comprehensively analyze various properties of ATi_(3)Bi_(5)covering superconductivity under pressure and doping,band topology under pressure,thermal conductivity,heat capacity,electrical resistance,and spin Hall conductivity(SHC)using first-principles calculations.Calculated superconducting transition temperature(Tc)of CsTi_(3)Bi_(5)and RbTi_(3)Bi_(5)at ambient pressure are about 1.85 and 1.92 K.When subject to pressure,Tc of CsTi_(3)Bi_(5)exhibits a special valley and dome shape,which arises from quasi-two-dimensional compression to three-dimensional isotropic compression within the context of an overall decreasing trend.Furthermore,Tc of RbTi_(3)Bi_(5)can be effectively enhanced up to 3.09 K by tuning the kagome van Hove singularities(VHSs)and flat band through doping.Pressures can also induce abundant topological surface states at the Fermi energy(EF)and tune VHSs across EF.Additionally,our transport calculations are in excellent agreement with recent experiments,confirming the absence of charge density wave.Notably,SHC of CsTi_(3)Bi_(5)can reach up to 226h·(e·Ω·cm)^(-1)at EF.Our work provides a timely and detailed analysis of the rich physical properties for ATi_(3)Bi_(5),offering valuable insights for further experimental verifications and investigations in this field. 展开更多
关键词 doping SUPERCONDUCTIVITY CONDUCTIVITY
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