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Mechanical Properties of Al_(2)O_(3)/FeCo Interface under Magnetic Field:A Molecular Dynamics Study
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作者 Chun Wang Haijun Su +2 位作者 Xi Li Wei Ren Yongle Li 《Chinese Journal of Chemical Physics》 2025年第3期323-333,I0037-I0047,I0109,共23页
Metal-ceramic composites combine the excellent properties of metals and ceramics,which have high strength,stability,and corrosion re-sistance.Al_(2)O_(3)/FeCo composites have been proven to be useful in ap-plications ... Metal-ceramic composites combine the excellent properties of metals and ceramics,which have high strength,stability,and corrosion re-sistance.Al_(2)O_(3)/FeCo composites have been proven to be useful in ap-plications such as catalysts,mi-crowave absorption materials,and enhanced permeability dielectric.The understanding of the mechani-cal properties and dynamics at the atomic scale of the Al_(2)O_(3)/FeCo in-terface can promote the design and exploitment of metal-ceramic composites.In this work,we have obtained Young’s modulus and diffusion coefficient of the Al_(2)O_(3)/FeCo interface using molecular dynamics simulation,elucidated the structural characteristics of the Al_(2)O_(3)/FeCo interface at the atomic scale,and investigated the impact of atomic magnetism and the exter-nal magnetic field on the interface.Simulated results show that Young’s modulus of the Al_(2)O_(3)/FeCo interface is significantly improved compared with pure Al_(2)O_(3)and FeCo alloy at room and high temperatures.When the atomic magnetism and the external magnetic field are applied,Young’s modulus of the Al_(2)O_(3)/FeCo interface further increases to 612 GPa at 300 K and 602 GPa at 500 K.Moreover,the average density,diffusion coefficient,and radial distri-bution function are found to be modified substantially.This study will shed light on the atom-istic investigations of the metal-ceramic composites. 展开更多
关键词 Molecular dynamics Al_(2)O_(3)/FeCo interface Young’s modulus Magnetism Magnetic field Diffusion coefficient
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平均框架下多元逼近问题的(s,t)-弱可处理性
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作者 陈佳 燕慧超 刘有军 《山东大学学报(理学版)》 北大核心 2026年第2期50-57,共8页
研究在平均框架下具有零平均高斯测度的Banach空间中的多元逼近问题APP_(d)(d∈N+),其中,零平均高斯测度的协方差核具有非负权重序列{α_(j)}和{γ_(j)},特别地,介绍两类具有不同权重的协方差核。利用有限个连续线性泛函构成的算法来逼... 研究在平均框架下具有零平均高斯测度的Banach空间中的多元逼近问题APP_(d)(d∈N+),其中,零平均高斯测度的协方差核具有非负权重序列{α_(j)}和{γ_(j)},特别地,介绍两类具有不同权重的协方差核。利用有限个连续线性泛函构成的算法来逼近多元问题APP_(d)。讨论在绝对误差和归一误差下,这两类具有不同权重的协方差核的Banach空间中的L_(2)逼近问题APP={APP_(d)_(deN_(+))}的(s,t)-弱可处理性(s>0,t≥1)。最后,利用实分析方法得到这两类L_(2)逼近问题APP是(s,1)-弱可处理的充分且必要条件:当j趋于无穷大时,权重序列{γ_(j)}的极限为0。 展开更多
关键词 L_(2)逼近 (s t)-弱可处理性 平均框架 协方差核
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基于T-S模糊模型的E-FMSS大信号稳定性分析
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作者 张元慧 郑华俊 袁旭峰 《电子科技》 2026年第2期61-71,共11页
柔性互联设备有利于提升配电网承载规模化分布式源荷的能力,高比例电力电子设备间的交互耦合影响配电网运行的稳定性。为量化不同配电区域之间通过储能型柔性多状态开关(Energy-storage Flexible Multi-State Switch,E-FMSS)互联系统中... 柔性互联设备有利于提升配电网承载规模化分布式源荷的能力,高比例电力电子设备间的交互耦合影响配电网运行的稳定性。为量化不同配电区域之间通过储能型柔性多状态开关(Energy-storage Flexible Multi-State Switch,E-FMSS)互联系统中系统参数、控制模式、控制参数对稳定性的影响,文中基于T-S模糊模型研究了E-FMSS大信号稳定性。根据E-FMSS的拓扑结构和控制策略推导了T-S模糊模型,提出了基于该模型的吸引域估计方法,并利用吸引域分析主电路参数、表征工作点信息的参数以及控制参数对E-FMSS大信号稳定性的影响。理论分析与时域仿真结果验证了利用所提基于T-S模糊模型估算吸引域判断E-FMSS大信号稳定性方法的正确性。 展开更多
关键词 柔性配电网 E-FMss 大扰动 稳定性 平均值模型 t-s模糊模型 线性矩阵不等式 吸引域
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Dysregulated insulin signaling and inflammation contribute to the pathogenesis of Alzheimer’s disease:From animal models to human cells
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作者 Marcus Elo Rytter Cecilie Amalie Brøgger Svane +1 位作者 Joachim Størling Wenqiang Chen 《Neural Regeneration Research》 2026年第3期1126-1127,共2页
The shared links between Alzheimer’s disease and type 2 diabetes mellitus:Alzheimer’s disease(AD)and type 2 diabetes mellitus(T2DM)are two prevalent conditions that come with substantial daily struggles.Emerging evi... The shared links between Alzheimer’s disease and type 2 diabetes mellitus:Alzheimer’s disease(AD)and type 2 diabetes mellitus(T2DM)are two prevalent conditions that come with substantial daily struggles.Emerging evidence highlights that these diseases share similar pathophysiological features,including insulin resistance and chronic inflammation,which contribute to their rapid progression(Chen et al.,2022).Insulin resistance,a hallmark of T2DM,has been suggested to exacerbate neurodegeneration in AD.Similarly,chronic low-grade inflammation in T2DM parallels with neuroinflammation,which is observed in AD,suggesting overlapping pathophysiological mechanisms in T2DM and AD. 展开更多
关键词 alzheimer s disease chronic inflammationwhich type diabetes mellitus alzheimer s disease ad INFLAMMAtION exacerbate neurodegeneration Alzheimers disease insulin resistance type diabetes mellitus t dm
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Synthesis of interfacial electric field-enhanced CdS/Cd_(x)Zn_(1-x)S/ZnO ternary heterojunction by lye dissolution etching mechanism for photocatalytic H_(2)production and CO_(2)reduction 被引量:1
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作者 Qi Li Shengchao Yang +7 位作者 Yufan Huang Yuwei Liang Chunling Hu Min Wang Zhiyong Liu Yanlong Tai Jichang Liu Yongsheng Li 《Journal of Materials Science & Technology》 2025年第1期152-165,共14页
The difficulty in fabricating a multifaceted composite heterojunction system based on Cd_(x) Zn_(1-x) S limits the enhancement of photocatalytic performance.In the present scrutiny,novel ZnO/Cd_(x) Zn_(1-x) S/CdS com-... The difficulty in fabricating a multifaceted composite heterojunction system based on Cd_(x) Zn_(1-x) S limits the enhancement of photocatalytic performance.In the present scrutiny,novel ZnO/Cd_(x) Zn_(1-x) S/CdS com-posite heterojunctions are successfully prepared by the alkaline dissolution etching method.The internal electric field at the interface of I-type and Z-scheme heterojunction improved the effective charge sepa-ration.The ZC 8 sample exhibits excellent photocatalytic performance and the H2 production efficiency is 15.67 mmol g^(−1) h^(−1) with good stability up to 82.9%in 24-hour cycles.The performance of CH_(4) and CO capacity in the CO_(2) RR process is 3.47μmol g^(−1) h^(−1) and 23.5μmol g^(−1) h^(−1),respectively.The photogener-ated accelerated charge transport is then examined in detail by in situ X-ray photoelectron spectroscopy(ISXPS)and density functional theory(DFT)calculations.This work presents a new idea for the synthe-sis of Cd_(x) Zn_(1-x) S solid-solution-based materials and provides a solid reference for the detailed mechanism regarding the electric field at the heterojunction interface. 展开更多
关键词 Photocatalysis interface electric field Composite heterostructure Photocatalytic mechanism Cd_(x)Zn_(1-x)s solid-solution
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基于T-S模糊神经网络的水体污染物生物修复质量评估研究
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作者 李北涛 刘靖 秦漾 《环境科学与管理》 2026年第1期184-188,共5页
在水体污染物修复过程中,微生物之间存在协同或拮抗作用,导致水体污染物生物修复质量评估难度增加,为此提出基于T-S模糊神经网络的水体污染物生物修复质量评估方法。选取污染物削减量、生物多样性、水体透明度等作为水体污染物生物修复... 在水体污染物修复过程中,微生物之间存在协同或拮抗作用,导致水体污染物生物修复质量评估难度增加,为此提出基于T-S模糊神经网络的水体污染物生物修复质量评估方法。选取污染物削减量、生物多样性、水体透明度等作为水体污染物生物修复质量评估指标。确定研究区域后,采集相关数据,输入T-S模糊神经网络评估模型进行训练,得出该水域生物修复质量综合评估结果。实验结果显示,研究水域经生物修复后,总磷与总氮污染物显著减少,各区域修复效果较平均。随时间延长,修复质量呈上升趋势,110天时修复效果满足污染治理需求。 展开更多
关键词 t-s模糊神经网络 水体污染物 生物修复 污染物削减量 生物多样性
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RBAD:The first database dedicated alterations of blood RNA in individuals with Alzheimer’s disease and their clinical relevance
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作者 Tingting Duan Jinyu Chu +10 位作者 Jinquan Li Shiyao Pan Dan Liu Guirong Cheng Yu Luo Wen Zhou Zhiming Wang Wei Tan Qiong Wu Yan Zeng Feifei Hu 《Neural Regeneration Research》 2026年第6期2553-2562,共10页
Alzheimer’s disease-associated transcriptomic landscapes have been defined in brain tissue.However,changes in blood RNA and their clinical relevance remain poorly understood.In this study,we developed an RNA profile ... Alzheimer’s disease-associated transcriptomic landscapes have been defined in brain tissue.However,changes in blood RNA and their clinical relevance remain poorly understood.In this study,we developed an RNA profile based on 1468 blood samples from both human and mouse studies,which include bulk RNA sequencing(RNA-seq),microRNA-seq,and single-cell RNA-seq data.We developed a comprehensive analysis pipeline that conducted over 11 million comparisons and correlations to identify more than 20,000 blood features.With these findings,we established a blood RNA database related to Alzheimer’s disease,RNAs in Blood of AD(RBAD,http://www.bioinform.cn/RBAD/).Using RBAD,we initially validated well-established Alzheimer’s disease-related pathways,including olfactory transduction.We then observed a decrease in both the proportion and functionality of erythroid cells,likely attributed to their elevated CD45 levels and interactions with GZMK^(+)CD8^(+)T cells.Furthermore,we identified 449 blood RNAs linked to patients’overall survival,along with two mRNAs(H4C3 and CTU1)associated with cognitive decline.In summary,RBAD is the first web-based analysis platform dedicated to investigating blood RNA changes in Alzheimer’s disease,and provides valuable insights into potential peripheral biomarkers and pathogenic mechanisms related to Alzheimer’s disease. 展开更多
关键词 Alzheimer’s disease biomarker BLOOD clinical relevance erythroid cells GZMK^(%PLUs%)CD8^(%PLUs%)t cells high throughput sequencing mild cognitive impairment olfactory transduction RNA
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The engineered probiotic strain Lactococcus lactis MG1363-pMG36e-GLP-1 regulates microglial polarization and gut dysbiosis in a transgenic mouse model of Parkinson’s disease
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作者 Mengyun Yue Tingtao Chen +6 位作者 Wenjie Chen Jing Wei Bin Liao Jie Zhang Fangjun Li Daojun Hong Xin Fang 《Neural Regeneration Research》 2026年第3期1211-1221,共11页
Parkinson’s disease is characterized by synucleinopathy-associated neurodegeneration.Previous studies have shown that glucagon-like peptide-1(GLP-1)has beneficial effects in a mouse model of Parkinson’s disease indu... Parkinson’s disease is characterized by synucleinopathy-associated neurodegeneration.Previous studies have shown that glucagon-like peptide-1(GLP-1)has beneficial effects in a mouse model of Parkinson’s disease induced by 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine.However,the effect of GLP-1 on intrinsic synuclein malfunction remains unclear.In this study,we investigated the effect of Lactococcus lactis MG1363-pMG36e-GLP-1 on parkinsonism in SncaA53T transgenic mice and explored the underlying mechanisms.Our data showed that Lactococcus lactis MG1363-pMG36e-GLP-1 inhibited dopaminergic neuronal death,reduced pathological aggregation ofα-synuclein,and decreased movement disorders in SncaA53T transgenic mice.Furthermore,Lactococcus lactis MG1363-pMG36e-GLP-1 downregulated lipopolysaccharide-related inflammation,reduced cerebral activation of microglia and astrocytes,and promoted cell survival via the GLP-1 receptor/PI3K/Akt pathway in the substantia nigra.Additionally,Lactococcus lactis MG1363-pMG36e-GLP-1 decreased serum levels of pro-inflammatory molecules including lipopolysaccharide,lipopolysaccharide binding protein,interleukin-1β,and interleukin-6.Gut histopathology and western blotting further revealed that Lactococcus lactis MG1363-pMG36e-GLP-1 increased the expression of gut integrity-related proteins and reduced lipopolysaccharide-related inflammation by reversing gut dysbiosis in SncaA53T transgenic mice.Our findings showed that the beneficial effect of Lactococcus lactis MG1363-pMG36e-GLP-1 on parkinsonism traits in SncaA53T transgenic mice is mediated by microglial polarization and the reversal of dysbiosis.Collectively,our findings suggest that Lactococcus lactis MG1363-pMG36e-GLP-1 is a promising therapeutic agent for the treatment of Parkinson’s disease. 展开更多
关键词 A53t transgenic mice engineered probiotics glucagon-like peptide-1 gut dysbacteriosis gut-brain axis Lactococcus lactis MG1363-pMG36e-GLP-1 microglial polarization neurodegenerative disease neuroinflammation Parkinson’s disease
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Hierarchical work function programming for optimizing interfacial polarization in electromagnetic wave absorber
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作者 Jinkun Liu Xuelian Yang +4 位作者 Wenxuan Chen Pingan Zhu Guanglei Wu Jing Zheng Xu Hou 《Chinese Chemical Letters》 2025年第10期323-328,共6页
The development of next-generation electromagnetic wave(EMW)absorbers requires a shift in interface design.By employing hierarchical work function programming,we propose an approach to tune interfacial polarization dy... The development of next-generation electromagnetic wave(EMW)absorbers requires a shift in interface design.By employing hierarchical work function programming,we propose an approach to tune interfacial polarization dynamics.This method utilizes multi-gradient work functions to guide carrier migration and polarization effectively,thereby enhancing energy dissipation under alternating electromagnetic fields.Here,we constructed a 1T/2H-MoS_(2)/PPy/VS_(2) composite absorber with integrated gradient interfaces.The composite achieved a powerful absorption(RLmin)of-58.59 dB at 2.3 mm,and an effective absorption bandwidth(EAB)of 7.44 GHz at 2.5 mm,demonstrating improved broadband absorption.Radar cross-section(RCS)simulations show an EMW loss of-7.2 dB m^(2) at 0°,highlighting its potential for stealth and communication applications.This study introduces hierarchical work function programming as a promising strategy in EMW absorber design,contributing to advancements in material performance and functionality. 展开更多
关键词 Work function interface polarization 1t/2H-Mos_(2)/PPy/Vs_(2)composites Electromagnetic wave absorption
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Boosting redox activity on MXene-induced multifunctional collaborative interface in high Li2S loading cathode for high-energy Li-S and metallic Li-free rechargeable batteries 被引量:8
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作者 Zhiyu Wang Nan Zhang +3 位作者 Mingliang Yu Junshan Liu Song Wang Jieshan Qiu 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2019年第10期183-191,共9页
Use of metallic Li anode raises serious concerns on the safety and operational performance of Li-S batteries due to uncontrolled hazard of Li dendrite formation, which is difficultly eliminated as long as the metallic... Use of metallic Li anode raises serious concerns on the safety and operational performance of Li-S batteries due to uncontrolled hazard of Li dendrite formation, which is difficultly eliminated as long as the metallic Li exists in the cells. Pairing lithium sulfide (Li2S) cathode with currently available metallic Lifree high-capacity anodes offers an alternative solution to this challenge. However, the performance of Li2S cathode is primarily restricted by high activation barrier upon initial charge, low active mass utilization and sluggish redox kinetics. Herein, a MXene-induced multifunctional collaborative interface is proposed to afford superb activity towards redox solid-liquid/liquid-liquid phase transformation, strong chemisorption, high conductivity and fast ionic/charge transport in high Li2S loading cathode. Applying collaborative interface effectively reduces initial voltage barrier of Li2S activation and regulates the kinetic behavior of redox polysulfide conversion. Therefore, stable operation of additive-free Li2S cathode with high areal capacities at high Li2S loading up to 9 mg cm^-2 can be achieved with less sacrifice of high capacity and rate capability in Li-S batteries. Rechargeable metallic Li-free batteries are successfully constructed by pairing this high-performance Li2S cathode with high-capacity metal oxide anodes, which delivers superior energy density to current Li-ion batteries. 展开更多
关键词 Lithium sULFIDE HIGH-CAPACItY CAtHODE interface MXene Li-s batteries
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Effects of Coverage,Water,and Defects on Catechol/TiO2 Interface 被引量:1
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作者 Min Wei Fan Jin +3 位作者 Chenggong Liang Lijuan Zhang Shizhu Qiao Yuchen Ma 《Chinese Journal of Chemical Physics》 SCIE EI CAS CSCD 2022年第6期935-944,I0060-I0063,I0073,共15页
Catechol adsorbed on TiO_(2)is one of the simplest models to explore the relevant properties of dye-sensitized solar cells.However,the effects of water and defects on the electronic levels and the excitonic properties... Catechol adsorbed on TiO_(2)is one of the simplest models to explore the relevant properties of dye-sensitized solar cells.However,the effects of water and defects on the electronic levels and the excitonic properties of the catechol/TiO_(2)interface have been rarely explored.Here,we investigate four catechol/TiO_(2)interfaces aiming to study the influence of coverage,water,and defects on the electronic levels and the excitonic properties of the catechol/TiO_(2)interface through the first-principles many-body Green’s function theory.We find that the adsorption of catechol on the rutile(110)surface increases the energies of both the TiO_(2)valence band maximum and conduction band minimum by approximately 0.7 eV.The increasing coverage and the presence of water can reduce the optical absorption of charge-transfer excitons with maximum oscillator strength.Regarding the reduced hydroxylated TiO_(2)substrate,the conduction band minimum decreases greatly,resulting in a sub-bandgap of 2.51 eV.The exciton distributions in the four investigated interfaces can spread across several unit cells,especially for the hydroxylated TiO2substrate.Although the hydroxylated TiO_(2)substrate leads to a lower open-circuit voltage,it may increase the separation between photogenerated electrons and holes and may therefore be beneficial for improving the photovoltaic efficiency by controlling its concentration.Our results may provide guidance for the design of highly efficient solar cells in future. 展开更多
关键词 Catechol/tiO2 interface EXCItON CHARGE-tRANsFER Many-body Green’s function theory
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Over 12%efficient kesterite solar cell via back interface engineering 被引量:2
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作者 Yunhai Zhao Zixuan Yu +8 位作者 Juguang Hu Zhuanghao Zheng Hongli Ma Kaiwen Sun Xiaojing Hao Guangxing Liang Ping Fan Xianghua Zhang Zhenghua Su 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2022年第12期321-329,I0008,共10页
Kesterite Cu_(2)ZnSn(S,Se)_(4)(CZTSSe)has attracted considerable attention as a non-toxic and earthabundant solar cell material.During selenization of CZTSSe film at high temperature,the reaction between CZTSSe and Mo... Kesterite Cu_(2)ZnSn(S,Se)_(4)(CZTSSe)has attracted considerable attention as a non-toxic and earthabundant solar cell material.During selenization of CZTSSe film at high temperature,the reaction between CZTSSe and Mo is one of the main reasons that result in unfavorable absorber and interface quality,which leads to large open circuit voltage deficit(VOC-def)and low fill factor(FF).Herein,a WO_(3)intermediate layer introduced at the back interface can effectually inhibit the unfavorable interface reaction between absorber and back electrode in the preliminary selenization progress;thus high-quality crystals are obtained.Through this back interface engineering,the traditional problems of phase segregation,voids in the absorber and over thick Mo(S,Se)_(2)at the back interface can be well solved,which greatly lessens the recombination in the bulk and at the interface.The increased minority carrier diffusion length,decreased barrier height at back interface contact and reduced deep acceptor defects give rise to systematic improvement in VOCand FF,finally a 12.66%conversion efficiency for CZTSSe solar cell has been achieved.This work provides a simple way to fabricate highly efficient solar cells and promotes a deeper understanding of the function of intermediate layer at back interface in kesterite-based solar cells. 展开更多
关键词 Cu_(2)Znsn(s se)_(4) WO_(3)intermediate layer Crystal growth Minority carrier diffusion length interface contact quality
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In-doping collaboratively controlling back interface and bulk defects to achieve efficient flexible CZTSSe solar cells 被引量:1
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作者 Quanzhen Sun Yifan Li +6 位作者 Caixia Zhang Shunli Du Weihao Xie Jionghua Wu Qiao Zheng Hui Deng Shuying Cheng 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第2期10-17,I0002,共9页
Focusing on the low open circuit voltage(V_(OC))and fill factor(FF)in flexible Cu_(2)ZnSn(S,Se)_(4)(CZTSSe)solar cells,indium(In)ions are introduced into the CZTSSe absorbers near Mo foils to modify the back interface... Focusing on the low open circuit voltage(V_(OC))and fill factor(FF)in flexible Cu_(2)ZnSn(S,Se)_(4)(CZTSSe)solar cells,indium(In)ions are introduced into the CZTSSe absorbers near Mo foils to modify the back interface and passivate deep level defects in CZTSSe bulk concurrently for improving the performance of flexible device.The results show that In doping effectively inhibits the formation of secondary phase(Cu(S,Se)_(2))and VSndefects.Further studies demonstrate that the barrier height at the back interface is decreased and the deep level defects(Cu_(Sn)defects)in CZTSSe bulk are passivated.Moreover,the carrier concentration is increased and the V_(OC) deficit(V_(OC,def))is decreased significantly due to In doping.Finally,the flexible CZTSSe solar cell with 10.01%power conversion efficiency(PCE)has been obtained.The synergistic strategy of interface modification and bulk defects passivation through In incorporation provides a new thought for the fabrication of efficient flexible kesterite-based solar cells. 展开更多
关键词 Flexible solar cells Cu_(2)Znsn(s se)_(4) Back interface Deep level defects Barrier height
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Strong interface interaction and internal electric field promote electron transfer of Bi_(2)O_(2)S/NiFe_(2)O_(4) heterojunction for photocatalytic antibiotic degradation 被引量:1
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作者 Shaoxuan Pang Yilin Dong +9 位作者 Dongyu Xu Qiuwen Wang Weihong Gao Lijun Zhang Kang Wang Guangming Zhang Longyi Lv Yuguo Xia Zhijun Ren Pengfei Wang 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2023年第27期145-155,共11页
Heterojunction photocatalysts have shown considerable activities for organic pollutants degradation.However,the faint connection interface and inferior charge shift efficiency critically block the property of heteroju... Heterojunction photocatalysts have shown considerable activities for organic pollutants degradation.However,the faint connection interface and inferior charge shift efficiency critically block the property of heterojunction photocatalysis.Herein,Bi_(2)O_(2)S/NiFe_(2)O_(4) nanosheets heterojunction with ultrastrong inter-face interaction and high internal electric field are designed by an in-situ growth method.Tentative and theoretical consequences prove that the interfacial interaction and internal electric field not only act as the electron flow bridge but also decrease the electrons shift energy obstacle,thus speeding up electrons transfer and achieving effective spatial electron-hole separation.Therefore,a large amount of·O_(2)^(-)and holes as active species were generated.Remarkably,Bi_(2)O_(2) S/NiFe_(2)O_(4) establishes a considerably boosted photocatalytic performance for tetracycline degradation(0.032 min^(-1)),which is about 14.2-fold and 7.8-fold of the pristine BOS and NFO,respectively.This work provides a promising motivation for modulating charge transfer by interface control and internal electric field to boost photocatalytic performance. 展开更多
关键词 Bi_(2)O_(2)s/NiFe_(2)O_(4) s-scheme heterojunction Ultrastrong interface interaction Internal electric field Active species Photocatalytic degradation
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Effects of thermodynamics parameters on mass transfer of volatile pollutants at air-water interface
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作者 Li-ping Chen Kai-yun Xuan +1 位作者 Bin Zhou Guang-fa Deng 《Water Science and Engineering》 EI CAS CSCD 2015年第3期211-216,共6页
A transient three-dimensional coupling model based on the compressible volume of fluid (VOF) method was developed to simulate the transport of volatile pollutants at the air-water interface. VOF is a numerical techn... A transient three-dimensional coupling model based on the compressible volume of fluid (VOF) method was developed to simulate the transport of volatile pollutants at the air-water interface. VOF is a numerical technique for locating and tracking the free surface of water flow. The relationships between Henry's constant, thermodynamics parameters, and the enlarged topological index were proposed for nonstandard conditions. A series of experiments and numerical simulations were performed to study the transport of benzene and carbinol. The simulation results agreed with the experimental results. Temperature had no effect on mass transfer of pollutants with low transfer free energy and high Henry's constant. The temporal and spatial distribution of pollutants with high transfer free energy and low Henry's constant was affected by temperature. The total enthalpy and total transfer free energy increased significantly with temperature, with significant fluctuations at low temperatures. The total enthalpy and total transfer free energy increased steadily without fluctuation at high temperatures. 展开更多
关键词 Henry's constant Mass transfer at interface thermodynamics parameters topological index Volatile pollutants
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On the structure of the turbulent/non-turbulent interface in a fully developed spatially evolving axisymmetric wake
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作者 Weijun Yin YuanLiang Xie +1 位作者 Xinxian Zhang Yi Zhou 《Theoretical & Applied Mechanics Letters》 CAS CSCD 2023年第2期143-148,共6页
In this work,we numerically study the structure of the turbulent/nonturbulent(T/NT)interface in a fully developed spatially evolving axisymmetric wake by means of direct numerical simulations.There is a continuous and... In this work,we numerically study the structure of the turbulent/nonturbulent(T/NT)interface in a fully developed spatially evolving axisymmetric wake by means of direct numerical simulations.There is a continuous and contorted pure shear layer(PSL)adjacent to the outer edge of the T/NT interface.The local thickness of the PSLδ_(PSL)exhibits a wide range of scales(from the Kolmogorov scale to the Taylor microscale)and the conditional mean thickness<δ_(PSL)>I/η_(c)≈6 withη_(c)being the centerline Kolmogorov scale is the same as the viscous superlayer.In the viscous superlayer,the pure shear motions without rotation are overwhelmingly dominant.It is also demonstrated that the physics of the turbulent sublayer is closely related to the PSL with a large thickness.Another significant finding is that the time averaged area of the rotational regionA R,and the pure shear region<A_(S)>at different streamwise locations scale with the square of the wake-width b_(U)^(2).This study opens an avenue for a better understanding of the structures of the T/NT interface. 展开更多
关键词 t/Nt interface Pure shear motion Viscous superlayer Axisymmetric wake
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Exploring how hydrogen at gold-sulfur interface affects spin transport in single-molecule junction
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作者 Jing Zeng Ke-Qiu Chen Yanhong Zhou 《Chinese Physics B》 SCIE EI CAS CSCD 2020年第8期525-530,共6页
Very recently,experimental evidence showed that the hydrogen is retained in dithiol-terminated single-molecule junction under the widely adopted preparation conditions,which is in contrast to the accepted view[Nat.Che... Very recently,experimental evidence showed that the hydrogen is retained in dithiol-terminated single-molecule junction under the widely adopted preparation conditions,which is in contrast to the accepted view[Nat.Chem.11351(2019)].However,the hydrogen is generally assumed to be lost in the previous physical models of single-molecule junctions.Whether the retention of the hydrogen at the gold-sulfur interface exerts a significant effect on the theoretical prediction of spin transport properties is an open question.Therefore,here in this paper we carry out a comparative study of spin transport in M-tetraphenylporphyrin-based(M=V,Cr,Mn,Fe,and Co;M-TPP)single-molecule junction through Au-SR and Au-S(H)R bondings.The results show that the hydrogen at the gold-sulfur interface may dramatically affect the spin-filtering efficiency of M-TPP-based single-molecule junction,depending on the type of transition metal ions embedded into porphyrin ring.Moreover,we find that for the Co-TPP-based molecular junction,the hydrogen at the gold-sulfur interface has no obvious effect on transmission at the Fermi level,but it has a significant effect on the spin-dependent transmission dip induced by the quantum interference on the occupied side.Thus the fate of hydrogen should be concerned in the physical model according to the actual preparation condition,which is important for our fundamental understanding of spin transport in the single-molecule junctions.Our work also provides guidance in how to experimentally identify the nature of gold-sulfur interface in the single-molecule junction with spin-polarized transport. 展开更多
关键词 transport properties molecular electronic devices gold-sulfur interface density-functional theory nonequilibrium Green’s functions
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Synthesis of Silver Sulf ide Quantum Dots Via the Liquid–Liquid Interface Reaction in a Rotating Packed Bed Reactor
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作者 Qing Liu Yuan Pu +2 位作者 Zhijian Zhao Jiexin Wang Dan Wang 《Transactions of Tianjin University》 EI CAS 2020年第4期273-282,共10页
We developed the high-gravity coupled liquid-liquid interface reaction technique on the basis of the rotating packed bed(RPB)reactor for the continuous and ultrafast synthesis of silver sulfide(Ag2S)quantum dots(QDs)w... We developed the high-gravity coupled liquid-liquid interface reaction technique on the basis of the rotating packed bed(RPB)reactor for the continuous and ultrafast synthesis of silver sulfide(Ag2S)quantum dots(QDs)with near-infrared(NIR)luminescence.The formation of Ag2S QDs occurs at the interface of microdroplets,and the average size of Ag2S QDs was 4.5 nm with a narrow size distribution.Ag2S QDs can disperse well in various organic solvents and exhibit NIR luminescence with a peak wavelength at 1270 nm under 980-nm laser excitation.The mechanism of the process intensification was revealed by both the computational fluid dynamics simulation and fluorescence imaging,and the mechanism is attributed to the small and uniform droplet formation in the RPB reactor.This study provides a novel approach for the continuous and ultrafast synthesis of NIR Ag2S QDs for potential scale-up. 展开更多
关键词 Ag2s quantum dots Near-infrared luminescence Rotating packed bed Liquid-liquid interface reaction Process intensification
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Oxygen and nitrogen tailoring carbon fiber aerogel with platinum electrocatalysis interfaced lithium/sulfur(Li/S)batteries
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作者 Lei Ji Xia Wang +6 位作者 Yongfeng Jia Xiaoxi Qin Yi Sui Huizhong Yan Zhiqiang Niu Jinghai Liu Yuegang Zhang 《Chinese Chemical Letters》 SCIE CAS CSCD 2023年第1期145-151,共7页
Sluggish kinetics of lithium/sulfur(Li/S)conversion chemistry and the ion channels formation in the cathode is still a bottleneck for developing future Li/S batteries with high-rate,long-cycling and high-energy.Here,a... Sluggish kinetics of lithium/sulfur(Li/S)conversion chemistry and the ion channels formation in the cathode is still a bottleneck for developing future Li/S batteries with high-rate,long-cycling and high-energy.Here,a rational cathode structure design of an oxygen(O)and nitrogen(N)tailoring carbon fiber aerogel(OCNF)as a host material integrated with platinum(Pt)electrocatalysis interface is employed to regulate Li/S conversion chemistry and ion channel.The Pt nanoparticles were uniformly sprayed onto the S surface to construct the electrocatalysis interface(Pt/S/OCNF)for generating ion channels to promote the effective penetration of electrolyte into the cathode.This Pt/S/OCNF gives the cathode a high sulfur utilization of 77.5%,an excellent rate capacity of 813.2 m Ah/g(2 C),and an outstanding long-cycling performance with a capacitance retention of 82.6%and a decay of 0.086%per cycle after 200 cycles at 0.5 C.Density functional theory(DFT)calculations reveal that the Pt electrocatalysis interface makes the cathode a high density of state(DOS)at Fermi level to facilitate the electrical conductivity,charge transfer kinetics and electrocatalysis to accelerate the lithium polysulfides(LiPSs)electrochemical conversion.Furthermore,the unique chemisorption structure and adsorption ability of Li2Sn(n=1,2,4,6,8)and S8on OCNF are attributed to the bridging effects of interfacial Pt and the bonding of N-Li.The Pt electrocatalysis interface combined with the unique 3D hierarchical porous structure and abundant functional active sites at OCNF guarantee strong adsorption confinement,fast Li/S electrocatalytic conversion and unblocked ion channels for electrolyte permeation in cathode. 展开更多
关键词 Li/s conversion chemistry Ion channels Pt electrocatalysis interface 3D aerogel host(OCNF) Adsorption confinement
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Interface and energy band manipulation of Bi2O3-Bi2S3 electrode enabling advanced magnesium-ion storage
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作者 Qiang Tang Yingze Song +4 位作者 Xuan Cao Cheng Yang Dong Wang Tingting Qin Wei Zhang 《Journal of Magnesium and Alloys》 SCIE EI CAS CSCD 2024年第9期3543-3552,共10页
Rechargeable magnesium-ion(Mg-ion)batteries have attracted wide attention for energy storage.However,magnesium anode is still limited by the irreversible Mg plating/stripping procedure.Herein,a well-designed binary Bi... Rechargeable magnesium-ion(Mg-ion)batteries have attracted wide attention for energy storage.However,magnesium anode is still limited by the irreversible Mg plating/stripping procedure.Herein,a well-designed binary Bi_(2)O_(3)-Bi_(2)S_(3)(BO-BS)heterostructure is fulfilled by virtue of the cooperative interface and energy band engineering targeted fast Mg-ion storage.The built-in electronic field resulting from the asymmetrical electron distribution at the interface of electron-rich S center at Bi_(2)S_(3) side and electron-poor O center at Bi_(2)O_(3) side effectively accelerates the electrochemical reaction kinetics in the Mg-ion battery system.Moreover,the as-designed heterogenous interface also benefits to maintaining the electrode integrity.With these advantages,the BO-BS electrode displays a remarkable capacity of 150.36 mAh g^(−1) at 0.67 A g^(-1) and a superior cycling stability.This investigation would offer novel insights into the rational design of functional heterogenous electrode materials targeted the fast reaction kinetics for energy storage systems. 展开更多
关键词 Magnesium-ion battery Bi2O3-Bi2s3 heterostructure interface and energy band engineering Electrochemical reaction kinetics Electrode integrity
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