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Energy & Environmental Materials 2024年第4期7卷 175-204页

作者： Jindan Zhang Shicheng Tang Mengqi Zhu Zhenghong Li Zhibin Cheng Shengchang Xiang Zhangjing Zhang College of Chemistry and Materials science Fujian Key Laboratory of Polymer Materials Fujian Normal University

Grain boundaries (GBs) in perovskite polycrystalline films are the most sensitive place for the formation of the defect states and the accumulation of ***,abundant works have been carried out to explore their properti... 详细信息

关键词： additives charge carrier dynamics grain boundaries perovskite solar cells

Exploring device physics of perovskite solar cell via machine learning with limited samples

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Journal of Energy Chemistry 2024年第7期94卷 441-448页

作者： Shanshan Zhao Jie Wang Zhongli Guo Hongqiang Luo Lihua Lu Yuanyuan Tian Zhuoying Jiang Jing Zhang Mengyu Chen Lin Li Cheng Li School of Electronic science and Engineering Xiamen UniversityXiamen 361005FujianChina Future Display Institute of Xiamen Xiamen 361005FujianChina

Perovskite solar cells(PsCs)have developed tremendously over the past ***,the key factors influencing the power conversion efficiency(PCE)of PSCs remain incompletely understood,due to the complexity and coupling of these structural and compositional *** this research,we demon-strate an effective approach to optimize PSCs performance via machine learning(ML).To address chal-lenges posed by limited samples,we propose a feature mask(FM)method,which augments training samples through feature transformation rather than synthetic *** this approach,squeeze-and-excitation residual network(SEResNet)model achieves an accuracy with a root-mean-square-error(RMSE)of 0.833%and a Pearson's correlation coefficient(r)of ***,we employ the permu-tation importance(PI)algorithm to investigate key features for ***,we predict PCE through high-throughput screenings,in which we study the relationship between PCE and chemical *** that,we conduct experiments to validate the consistency between predicted results by ML and experimental *** this work,ML demonstrates the capability to predict device performance,extract key parameters from complex systems,and accelerate the transition from laboratory findings to commercialapplications.

关键词： Perovskite solar cell Machine learning Device physics Performance prediction Limited samples

A hydrogen-bonded organic framework containing fluorescent carbazole and responsive pyridyl units for sensing organic acids

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Chinese Chemical Letters 2024年第9期35卷 458-463页

作者： Liangji Chen Zhen Yuan Fudong Feng Xin Zhou Zhile Xiong Wuji Wei Hao Zhang Banglin Chen Shengchang Xiang Zhangjing Zhang fujian Key Laboratory of Polymer Materials College of Chemistry and Materials ScienceFujian Normal UniversityFuzhou 350007China

Hydrogen-bonded organic frameworks(HOFs)are a promising candidate for optical sensing,but the lack of effective design strategies poses significant challenges to the construction of HOFs for organic acid *** this work,the first HOF for organic acid sensing is reported by constructing a multiplepyridine carbazole-based dense HOF,namely HOF-FJU-206,from a tripyridine-carbazole molecular 3,6-bis(pyridin-4-yl)-9-(4-(pyridin-4-yl)phenyl)-9H-carbazole(CPPY)with carbazole center for luminescence,pyridyl sites for its responsive of hydrogen proton,and narrow channels in the dense framework for the diffusion of hydrogen ***-FJU-206 exhibits differential responsively fluorescence sensing and recovery properties to formic,acetic,and propionic acids with different molecular sizes and p Kavalue(acid dissociation constant).The dissociation degree of various acids can be determined by analyzing the slope of changes in both peak wavelength and intensity of in-situ fluorescence,which easily enables the dual-corrective recognition of different *** varying degree of protonation at pyridine sites is proved to be the reason for differential sensing of various acids,as demonstrated by1H NMR spectra,X-ray photoelectron spectroscopy(XPS)characterization,and modeling studies.

关键词： Hydrogen-bonded organic framework Organic acid sensing Acids recognition Carbazole luminescence Pyridine protonation

Activation of the wnt/β-catenin/CYP1B1 pathway alleviates oxidative stress and protects the blood-brain barrier under cerebral ischemia/reperfusion conditions

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Neural Regeneration Research 2024年第7期19卷 1541-1547页

作者： Xingyong Chen Nannan Yao Yanguang Mao Dongyun Xiao Yiyi Huang Xu Zhang Yinzhou Wang Department of Neurology Fujian Provincial HospitalShengli Clinical Medical College of Fujian Medical UniversityFuzhouFujian ProvinceChina Department of Neurology Cangzhou Central HospitalCangzhouHebei ProvinceChina fujian Academy of Medical science FuzhouFujian ProvinceChina Key Testing Laboratory of fujian Province FuzhouFujian ProvinceChina

Accumulating evidence suggests that oxidative stress and the Wnt/β-catenin pathway participate in stroke-induced disruption of the blood-brain ***,the potential links between them following ischemic stroke remain largely *** present study found that cerebral ischemia leads to oxidative stress and repression of the Wnt/β-catenin ***,Wnt/β-catenin pathway activation by the pharmacological inhibito r,TWS119,relieved oxidative stress,increased the levels of cytochrome P4501B1(CYP1B1)and tight junction-associated proteins(zonula occludens-1[ZO-1],occludin and claudin-5),as well as brain microvascular density in cerebral ischemia *** r,rat brain microvascular endothelial cells that underwent oxygen glucose deprivation/reoxygenation displayed intense oxidative stress,suppression of the Wnt/β-catenin pathway,aggravated cell apoptosis,downregulated CYP1B1and tight junction protein levels,and inhibited cell prolife ration and *** ofβ-catenin or knockdown ofβ-catenin and CYP1B1 genes in rat brain mic rovascular endothelial cells at least partly ameliorated or exacerbated these effects,*** addition,small interfering RNA-mediatedβ-catenin silencing decreased CYP1B1 expression,whereas CYP1B1 knoc kdown did not change the levels of glycogen synthase kinase 3β,Wnt-3a,andβ-catenin proteins in rat brain microvascular endothelial cells after oxygen glucose deprivatio n/***,the data suggest that CYP1B1 can be regulated by Wnt/β-catenin signaling,and activation of the Wnt/β-catenin/CYP1B1 pathway contributes to alleviation of oxidative stress,increased tight junction levels,and protection of the blood-brain barrier against ischemia/hypoxia-induced injury.

关键词： blood-brain barrier CYP1B1 oxidative stress oxygen glucose deprivation/reoxygenation tight junction vascular endothelial cells Wnt/β-catenin pathway β-catenin

A high-entropy-designed cathode with V5+-V2+ multi-redox for high energy density sodium-ion batteries

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Journal of Energy Chemistry 2024年第10期97卷 429-437页

作者： Xiang Ding Xiaofen Yang Yibing Yang Liangwei Liu Yi Xiao Lili Han College of Chemistry and Materials science Fujian Normal University State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of Matter Chinese Academy of Sciences

Na3V2（PO4）3（NVP） is gifted with fast Na+conductive NASICON *** it still suffers from low electronic conductivity and inadequate energy ***,a high-entropy modification strategy is realized by doping V3+site with Ga3+/Cr3+/Al3+/Fe3+/In3+simultaneously(***3V2-x（GaCrAlFeIn）x（PO4）3;x=0,0.04,0.06,and 0.08) to stimulate the V5+■V2+reversible multi-electron *** configuration high-entropy can effectively suppress the structural collapse,enhance the redox reversibility in high working voltage（4.0 V）,and optimize the electronic induced *** in-situ X-ray powder diffraction and in-situ electrochemical impedance spectroscopy tests efficaciously confirm the robust structu ral recovery and far lower polarization throughout an entire charge-discharge cycle during 1.6-4.3 V,***,the density functional theory calculations clarify the stronger metallicity of high-entropy electrode than the bare that is derived from the more mobile free electrons surrounding the vicinity of Fermi *** grace of high-entropy design and multi-electron transfer reactions,the optimal Na3V1.7（GaCrAlFeIn）0.06（PO4）3can exhibit perfect cycling/rate performances(90.97%@5000 cycles@30 C;112 mA h g-1@10 C and 109 mA h g-1@30 C,2.0-4.3 V).Furthermore,it can supply ultra-high185 mA h g-1capacity with fa ntastic energy density(522 W h kg-1) in half-cells（1.4-4.3 V）,and competitive capacity(121 mA h g-1) as well as energy density(402 W h kg-1) in full-cells（1.6-4.1 V）,demonstrating enormous application potential for sodium-ion batteries.

关键词： High energy density High-entropy Na3V2(PO4)3 Sodium-ion batteries V5+⇋V2+ multi-redox

Metal–Organic Framework‑Based Photodetectors

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Nano-Micro Letters 2024年第11期16卷 675-703页

作者： Jin‑Biao Zhang Yi‑Bo Tian Zhi‑Gang Gu Jian Zhang State Key Laboratory of Structural Chemistry Structure of MatterFujian Institute of ResearchChinese Academy of SciencesFuzhouFujian 350002People’s Republic of China College of Chemistry and Materials science Fujian Nornal UniversityFuzhou 350007FujianPeople’s Republic of China fujian science&Technology Innovation Laboratory for Optoelectronic Information of China Fuzhou 350108FujianPeople’s Republic of China University of Chinese Academy of science Beijing 100049People’s Republic of China

The unique and interesting physical and chemical properties of metal–organic framework(MOF)materials have recently attracted extensive attention in a new generation of photoelectric *** this review,we summarized and discussed the research progress on MOF-based *** methods of preparing MOF-based photodetectors and various types of MOF single crystals and thin film as well as MOF composites are introduced in ***,the photodetectors applications for X-ray,ultraviolet and infrared light,biological detectors,and circularly polarized light photodetectors are ***,summaries and challenges are provided for this important research field.

关键词： Metal-organic frameworks Semiconductor Photodetectors

Fe-N-C core-shell catalysts with single low-spin Fe(Ⅱ)-N_(4)species for oxygen reduction reaction and high-performance proton exchange membrane fuel cells

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Journal of Energy Chemistry 2024年第6期93卷 538-546,I0013页

作者： Yan Wan Linhui Yu Bingxin Yang Caihong Li Chen Fang Wei Guo Fang-Xing Xiao Yangming Lin Xiamen Key Laboratory of Rare Earth Photoelectric Functional Materials Xiamen Institute of Rare Earth MaterialsHaixi InstituteChinese Academy of SciencesXiamen 361021FujianChina CAS Key Laboratory of Urban Pollutant Conversion Institute of Urban EnvironmentChinese Academy of SciencesXiamen 361021FujianChina fujian Institute of Research on the Structure of Matter Chinese Academy of SciencesFuzhou 350002FujianChina College of Materials science and Engineering Fuzhou UniversityNew CampusMinhou 350108FujianChina College of Chemistry and Materials science Fujian Normal UniversityFuzhou 350117FujianChina

Fe-N-doped carbon materials(Fe-N-C)are promising candidates for oxygen reduction reaction(ORR)relative to Pt-based catalysts in proton exchange membrane fuel cells(PEMFCs).However,the intrinsic contributions of Fe-N_(4)moiety with different chemical/spin states(e.g.D1,D2,D3)to ORR are unclear since various states coexist *** the present work,Fe-N-C core-shell nanocatalyst with single lowspin Fe(Ⅱ)-N_(4)species(D1)is synthesized and identified with ex-situ ultralow temperature Mossbauer spectroscopy(T=1.6 K)that could essentially differentiate various Fe-N_(4)states and invisible Fe-O *** quantifying with CO-pulse chemisorption,site density and turnover frequency of Fe-N-C catalysts reach 2.4×10^(-9)site g^(-1)and 23 e site~(-1)s^(-1)during the ORR,***-wave potential(0.915V_(RHE))of the Fe-N-C catalyst is more positive(approximately 54 mV)than that of Pt/***,we observe that the performance of PEMFCs on Fe-N-C almost achieves the 2025 target of the US Department of Energy by demonstrating a current density of 1.037 A cm^(-2)combined with the peak power density of 0,685 W cm^(-2),suggesting the critical role of Fe(Ⅱ)-N_(4)site(D1).After 500 h of running,PEMFCs still deliver a power density of 1.26 W cm^(-2)at 1.0 bar H_(2)-O_(2),An unexpected rate-determining step is figured out by isotopic labelling experiment and theoretical *** work not only offers valuable insights regarding the intrinsic contribution of Fe-N_(4)with a single spin state to alkaline/acidic ORR,but also provides great opportunities for developing high-performance stable PEMFCs.

关键词： Fuel cells Oxygen reduction reaction Non-platinum group metals(PGMs) Isotopic labelling Active site TOF

Variable projection algorithms with sparse constraint for separable nonlinear models

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Control Theory and Technology 2024年第1期22卷 135-146页

作者： Hui-Lang Xu Guang-Yong Chen Si-Qing Cheng Min Gan Jing Chen College of Computer and Data science Fuzhou UniversityFuzhou350116FujianChina fujian Key Laboratory of Network Computing and Intelligent Information Processing Fuzhou UniversityFuzhou350116FujianChina Key Laboratory of Intelligent Metro of Universities in fujian Fuzhou UniversityFuzhou350116FujianChina Engineering Research Center of Big Data Intelligence Ministry of EducationFuzhou UniversityFuzhou350116FujianChina School of science Jiangnan UniversityWuxi214122JiangsuChina

Separable nonlinear models are widely used in various fields such as time series analysis, system modeling, and machine learning, due to their flexible structures and ability to capture nonlinear behavior of data. However, identifying the parameters of these models is challenging, especially when sparse models with better interpretability are desired by practitioners. Previous theoretical and practical studies have shown that variable projection (VP) is an efficient method for identifying separable nonlinear models, but these are based on \(L_2\) penalty of model parameters, which cannot be directly extended to deal with sparse constraint. Based on the exploration of the structural characteristics of separable models, this paper proposes gradient-based and trust-region-based variable projection algorithms, which mainly solve two key problems: how to eliminate linear parameters under sparse constraint;and how to deal with the coupling relationship between linear and nonlinear parameters in the model. Finally, numerical experiments on synthetic data and real time series data are conducted to verify the effectiveness of the proposed algorithms.

关键词： Variable projection(VP) Non-smooth constraint Separable nonlinear models

Nonlinear Registration of Brain Magnetic Resonance Images with Cross Constraints of Intensity and Structure

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Computers, Materials & Continua 2024年第5期79卷 2295-2313页

作者： Han Zhou HongtaoXu Xinyue Chang Wei Zhang Heng Dong Digital fujian Research Institute of Big Data forAgriculture and Forestry Fujian Agriculture and Forestry UniversityFuzhou350002China College of Computer and Information science Fujian Agriculture and Forestry UniversityFuzhou350002China

Many deep learning-based registration methods rely on a single-stream encoder-decoder network for computing deformation fields between 3D ***,these methods often lack constraint information and overlook semantic consistency,limiting their *** address these issues,we present a novel approach for medical image registration called theDual-VoxelMorph,featuring a dual-channel cross-constraint *** innovative network utilizes both intensity and segmentation images,which share identical semantic information and feature *** encoder-decoder structures calculate deformation fields for intensity and segmentation images,as generated by the dual-channel cross-constraint *** design facilitates bidirectional communication between grayscale and segmentation information,enabling the model to better learn the corresponding grayscale and segmentation details of the same anatomical *** ensure semantic and directional consistency,we introduce constraints and apply the cosine similarity function to enhance semantic *** on four public datasets demonstrates superior performance compared to the baselinemethod,achieving Dice scores of 79.9%,64.5%,69.9%,and 63.5%for OASIS-1,OASIS-3,LPBA40,and ADNI,respectively.

关键词： Medical image registration cross constraint semantic consistency directional consistency dual-channel

In-doping collaboratively controlling back interface and bulk defects to achieve efficient flexible CZTSSe solar cells

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Journal of Energy Chemistry 2024年第2期89卷 10-17,I0002页

作者： Quanzhen Sun Yifan Li Caixia Zhang Shunli Du Weihao Xie Jionghua Wu Qiao Zheng Hui Deng Shuying Cheng Institute of Micro-Nano Devices and Solar Cells College of Physics and Information EngineeringFuzhou UniversityFuzhou 350108FujianChina fujian science&Technology Innovation Laboratory for Optoelectronic Information of China Fuzhou 350108FujianChina Jiangsu Collaborative Innovation Center of Photovoltaic science and Engineering Changzhou 213164JiangsuChina

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 *** results show that In doping effectively inhibits the formation of secondary phase(Cu(S,Se)_(2))and *** studies demonstrate that the barrier height at the back interface is decreased and the deep level defects(Cu_(Sn)defects)in CZTSSe bulk are ***,the carrier concentration is increased and the V_(OC) deficit(V_(OC,def))is decreased significantly due to In ***,the flexible CZTSSe solar cell with 10.01%power conversion efficiency(PCE)has been *** 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.

关键词： Flexible solar cells Cu_(2)ZnSn(S,Se)_(4) Back interface Deep level defects Barrier height