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First-principles study on optic-electronic properties of doped formamidinium lead iodide perovskite

Chinese Physics B 2019年第1期28卷 620-627页

作者： Xin-Feng Diao yan-lin tang Quan Xie School of Big Data and Information Engineering Guizhou University School of Physics and Electronic Sciences Guizhou Normal College School of Physics Guizhou University

We have discussed the materials of solar cell based on hybrid organic–inorganic halide perovskites with formamidinium(NH_2CH = NH_2^+or FA) lead iodide. Firstly, we build the structure of formamidinium lead iodide(FAPbI_3) by using the material studio. By using the first-principles calculations, the energy band structure, density of states(DOS), and partial DOS(PDOS) of the hydrazine-iodide lead halide are obtained. Then, we theoretically analyze a design scheme for perovskite solar cell materials, published in [Science 354, 861(2016)], with the photoelectric conversion efficiency that can reach 20.3%. Also, we use non-toxic elements to replace lead in FAPbI_3 without affecting its photoelectric conversion efficiency. Here in this work, we explore the energy band structure, lattice constant, light absorption efficiency, etc. After the Ca, Zn, Ge Sr, Sn, and Ta atoms replacing lead(Pb) and through comparing the spectral distributions of the solar spectrum, it can be found that FAGeI_3, FASnI_3, and FAZnI_3 have better absorbance characteristics in the solar spectrum range. If the band gap structure is taken into account, FAGeI_3 will become an ideal material to replace FAPbI_3, although its performance is slightly lower than that of FAPbI_3. The toxicity of Pb is taken into account, and the Ge element can be used as a substitute element for Pb. Furthermore, we explore one of the perovskite materials, i.e., FA0.75Cs_(0.25)Sn_(0.25)Ge_(0.75)I_3 whose photovoltaic properties are close to those of FA_(0.75)Cs_(0.25)Sn_(0.5)Pb_(0.5)I_3, but the former does not contain toxic *** results pave the way for further investigating the applications of these materials in relevant technologies.

关键词： perovskite band structure optic-electronic properties solar cell

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DNA condensation and size effects of DNA condensation agent

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Frontiers of physics 2013年第4期8卷 467-471页

作者： yan-Hui Liu Chong-Ming Jiang Xin-Miao Guo yan-lin tang lin Hu College of Science Guizhou University Guiyang 550025 China State Key Laboratory of Theoretical Physics Institute of Theoretical Physics Chinese Academy of Sciences Beijing 100190 China Department of Physics Sun Yat-Sen University Guangzhou 510275 China

Based on the model of the strong correlation of counterions condensed on DNA molecule, by tailoring interaction potential, interduplex spacing and correlation spacing between condensed counterions on DNA molecule and interduplex spacing fluctuation strength, toroidal configuration, rod-like configuration and two-hole configurations are possible. The size effects of counterion structure on the toroidal structure can be detected by this model. The autocorrelation function of the tangent vectors is found as an effective way to detect the structure of toroidal conformations and the generic pathway of the process of DNA condensation. The generic pathway of all of the configurations involves an initial nucleation loop, and the next part of the DNA chain is folded on the top of the initial nucleation loop with different manners, in agreement with the recent experimental results.

关键词： DNA condensation Monte Carlo simulation size effects of condensation agent

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Recent Advances in Mechanistic Understanding of Metal-Free Carbon Thermocatalysis and Electrocatalysis with Model Molecules

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Nano-Micro Letters 2024年第7期16卷 74-97页

作者： Wei Guo linhui Yu ling tang yan Wan yangming lin CAS Key Laboratory of Design and Assembly of Functional Nanostructures Fujian Institute of Research on the Structure of MatterChinese Academy of SciencesFuzhou 350002People’s Republic of China Xiamen Key Laboratory of Rare Earth Photoelectric Functional Materials Xiamen Institute of Rare Earth MaterialsHaixi InstituteChinese Academy of SciencesXiamen 361021People’s Republic of China State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of MatterChinese Academy of SciencesFuzhou 350002People’s Republic of China Institute of Urban Environment Chinese Academy of SciencesXiamen 361021People’s Republic of China

Metal-free carbon,as the most representative heterogeneous metal-free catalysts,have received considerable interests in electro-and thermo-catalytic reac-tions due to their impressive performance and *** the past decade,well-designed carbon catalysts with tunable structures and heteroatom groups coupled with various characterization techniques have proposed numerous reaction ***,active sites,key intermediate species,precise structure-activity relationships and dynamic evolution processes of carbon catalysts are still rife with controversies due to the monotony and limitation of used experimental *** this Review,we sum-marize the extensive efforts on model catalysts since the 2000s,particularly in the past decade,to overcome the influences of material and structure limitations in metal-free carbon *** both nanomolecule model and bulk model,the real contribution of each alien species,defect and edge configuration to a series of fundamentally important reactions,such as thermocatalytic reactions,electrocatalytic reactions,were systematically *** with in situ techniques,isotope labeling and size control,the detailed reaction mechanisms,the precise 2D structure-activity relationships and the rate-determining steps were revealed at a molecular ***,the outlook of model carbon catalysis has also been proposed in this work.

关键词： Metal-free carbon catalysts Model catalyst Electrocatalysis Active site Reaction mechanisms

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Granular collapse in fluids:Dynamics and flow regime identification

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Particuology 2024年第9期92卷 30-41页

作者： Hu tang Bisong lin Dengming Wang Department of Mechanics and Engineering Science School of Civil Engineering and MechanicsKey Laboratory of Mechanics on Disaster and Environment in Western China of Ministry of EducationLanzhou UniversityLanzhou730000China

The collapse of granular material in fluids is a prevalent phenomenon in both natural and industrial processes,displaying a notable sensitivity to initial configuration of the *** study is specifically oriented towards falling process of collapsing material under various fluid conditions,employing the computational fluid dynamics-discrete element method(CFD-DEM)to primarily investigate the dynamics and scaling laws of deposit morphology of collapsed *** a comprehensive analysis of particle sedimentation in fluids,we introduce a refined inertial characteristic time for granular collapse within the inertial ***,we propose modifications to conventional fluid-particle density ratio and Reynolds number,aiming to enhance the accuracy of depicting collapse dynamics and identifying flow regimes across diverse column heights and fluid ***,we construct a phase diagram of flow regimes using modified dimensionless numbers,emphasizing the role of column height in transition between viscous and inertial *** parameters demonstrate enhanced relevance in governing the collapse of immersed granular columns,thereby contributing to a more nuanced understanding of fluid-particle interations in dense granular flows under different regimes.

关键词： Immersed granular material Collapse Dynamic Flow regime Computational fluid dynamics-discrete element method

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Model-driven path planning for robotic plasma cutting of branch pipe with single Y-groove based on pipe-rotating scheme

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Advances in Manufacturing 2024年第1期12卷 94-107页

作者： yan Liu Qiu tang Xin-Cheng Tian School of Control Science and Engineering Shandong UniversityJinan250061People’s Republic of China Engineering Research Center of Intelligent Unmanned System Ministry of EducationJinan250061People’s Republic of China School of Mechanical and Electronic Engineering Shandong Jianzhu UniversityJinan250101People’s Republic of China

The automatic cutting of intersecting pipes is a challenging task in *** improved automation and accuracy,this paper proposes a model-driven path planning approach for the robotic plasma cutting of a branch pipe with a single ***,it summarizes the intersection forms and introduces a dual-pipe intersection *** on this model,the moving three-plane structure(a description unit of the geometric characteristics of the intersecting curve)is constructed,and a geometric model of the branch pipe with a single Y-groove is ***,a novel mathematical model for plasma radius and taper compensation is ***,the compensation model and groove model are integrated by establishing movable ***,to prevent collisions between the plasma torch and workpiece,the torch height is planned and a branch pipe-rotating scheme is *** the established models and moving frames,the planned path description of cutting robot is provided in this novel *** accuracy of the proposed method is verified by simulations and robotic cutting experiments.

关键词： Automatic groove cutting of intersecting pipes Model-driven robot path planning Plasma beam radius and taper compensation

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Improved catalytic performance of CO_(2) electrochemical reduction reaction towards ethanol on chlorine-modified Cu-based electrocatalyst

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Nano Research 2024年第5期17卷 3761-3768页

作者： Yifan Liu Hehua tang Yitian Zhou Bo-lin lin School of Physical Science and Technology ShanghaiTech UniversityShanghai 201210China

Effective electrochemical conversion of CO_(2) to value-added liquid multi-carbon products driven by renewable energy is a promising approach to alleviate excessive CO_(2) emission and achieve large-scale renewable energy ***,the selectivity and catalytic activity towards liquid multi-carbon products of CO_(2) electroreduction reaction are still unsatisfactory due to the sluggish C-C coupling process and the formation of complex oxygen-containing ***,designing and fabricating highly effective electrocatalysts is crucial for practical applications in this ***,we developed Cl-modified Cu catalyst(Cu-Cl)for efficient electrochemical reduction of CO_(2) to *** optimal Faradaic efficiency and partial current density of ethanol on the Cu-Cl sample reached 26.2%and 343.2 mA·cm^(-2) at-0.74 V(*** hydrogen electrode(RHE)),which were 1.66 and 1.76 times higher than those of the catalyst without Cl decoration,outperforming those in most previously reported *** functional theory(DFT)calculations revealed that the Cl-modified Cu surface suppressed the parasitic hydrogen evolution reaction(HER)and reduced the energy barrier for the C-C coupling process,making the formation of key intermediates favorable for ethanol ***,the decoration of Cl on the Cu surface facilitated ethanol formation.

关键词： CO_(2)electrochemical reduction halogen chlorine Cu-based catalysts ethanol multi-carbon products

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Current perspectives on mesenchymal stem cells as a potential therapeutic strategy for non-alcoholic fatty liver disease

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World Journal of Stem Cells 2024年第7期16卷 760-772页

作者： yan Jiang Narazah Mohd Yusoff Jiang Du Emmanuel Jairaj Moses Jun-tang lin School of Nursing Xinxiang Medical UniversityXinxiang 453000Henan ProvinceChina Department of Biomedical Sciences Advanced Medical and Dental InstituteUniversiti Sains MalaysiaKepala Batas 13200Pulau PinangMalaysia Advanced Medical and Dental Institute Universiti Sains MalaysiaKepala Batas 13200Pulau PinangMalaysia Henan Joint International Research Laboratory of Stem Cell Medicine School of Medical EngineeringXinxiang Medical UniversityXinxiang 453003Henan ProvinceChina Stem Cells and Biotherapy Engineering Research Center of Henan National Joint Engineering Laboratory of Stem Cells and BiotherapySchool of Life Science and TechnologyXinxiang Medical UniversityXinxiang 453003Henan ProvinceChina Henan Joint International Research Laboratory of Stem Cell Medicine School of Medical EngineeringXinxiang Medical UniversityXinxiang 453000Henan ProvinceChina

Non-alcoholic fatty liver disease(NAFLD)has emerged as a significant health challenge,characterized by its widespread prevalence,intricate natural progression and multifaceted *** NAFLD initially presents as benign fat accumulation,it may progress to steatosis,non-alcoholic steatohepatitis,cirrhosis,and hepatocellular *** stem cells(MSCs)are recognized for their intrinsic self-renewal,superior biocompatibility,and minimal immunogenicity,positioning them as a therapeutic innovation for liver ***,this review aims to elucidate the potential roles of MSCs in alleviating the progression of NAFLD by alteration of underlying molecular pathways,including glycolipid metabolism,inflammation,oxidative stress,endoplasmic reticulum stress,and *** insights are expected to provide further understanding of the potential of MSCs in NAFLD therapeutics,and support the development of MSC-based therapy in the treatment of NAFLD.

关键词： Non-alcoholic induced fatty liver disease Mesenchymal stem cells Lipid accumulation Inflammation Oxidative stress Endoplasmic reticulum stress Fibrosis

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Geochronology and Geochemistry of Ore-related Granitoids in the Giant Gariatong Rb Deposit,Tibet and Implications for Rb Metallogeny in China

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Acta Geologica Sinica(English Edition) 2024年第1期98卷 83-103页

作者： lin Bin tang Juxing tang Pan SUN yan QI Jing MSANTOSH XIE Jinling DENG Shilin LI Faqiao XIE Fuwei ZHOU Aorigele MNR Key Laboratory of Metallogeny and Mineral Assessment Institute of Mineral ResourcesChinese Academy of Geological SciencesBeijing 100037China SinoProbe Laboratory Chinese Academy of Geological SciencesBeijing 100094China The Key Laboratory of the Ministry of Education on Solid Waste Treatment and Recycling School of Environment and ResourceSouthwest University of Science and TechnologyMianyangSichuan 621010China School of Earth Sciences and Resources China University of Geosciences(Beijing)Beijing 100083China Department of Earth Sciences University of AdelaideAdelaide SA-5005Australia Faculty of Geosciences and Environmental Engineering Southwest Jiaotong UniversityChengdu 610031China Regional Geological Survey Team of the Tibetan Bureau of Geology and Mineral Exploration and Development Lhasa 851400China College of Earth Science and Key Laboratory of Tectonic Controlled Mineralization and Oil Reservoirs Chengdu University of TechnologyChengdu 610059China

Rubidium(Rb)deposits mostly occur in the South China and Central Asia orogenic belts and are often closely associated with highly differentiated *** study investigates a newly-discovered giant Rb deposit at Gariatong in the Central Lhasa terrane in *** field studies and logging data revealed that the Rb mineralization mainly occurs in monzogranite and is related to ***-ICP-MS U-Pb dating of zircon yielded ages of 19.1±0.2 Ma and 19.0±0.2 Ma for greisenized monzogranite and fresh monzogranite,*** monzogranites are characterized as strongly peraluminous,with high contents of SiO2,Al2O3,K2O and Na2O as well as a high differentiation *** are enriched in light rare earth and large ion lithophile elements with significant negative Eu anomalies and depleted high fieldstrength *** and geochemical features of these ore-related monzogranites suggest that they are highly fractionated S-type granites,derived from remelting of crustal materials in a post-collisional *** geochemistry of zircon and apatite points to a low oxygen fugacity of the ore-related monzogranite during the magma’s *** discovery of the Gariatong Rb deposit suggests that the Central Lhasa terrane may be an important region for rare metal mineralization.

关键词： LA-ICP-MS U-Pb dating geochemistry Rb metallogeny Gariatong Tibet

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A Numerical Calculation Algorithm of the Inclination Function Based on the Representation of SO(3) Group

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Acta Mathematicae Applicatae Sinica 2024年第1期40卷 137-148页

作者： Yu-xiao Wei Wen-lin tang Department of Geophysics School of Geology Engineering and GeomaticsChang’An UniversityXi’an710064China Key Laboratory of Electronics and Information Technology for Space Systems National Space Science CenterChinese Academy of SciencesBeijing100190China

In the determination of the Earth gravity field in satellite geodesy, the inclination functions represent the projection of data observed along the orbital plane of a satellite orbit into the sphere in the terrestial reference frame. The inclination functions in this work is studied from a group theoretical perspective. The inclination functions are proved to generate a representation of the SO(3) group. An orthogonal relation of the inclination functions is derived and some recurrence relations for the inclination functions are given, based on which an algorithm to calculate the inclination functions is proposed.

关键词： SO(3)group inclination function satellite geodesy representation of SO(3)

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Analyzing topics in social media for improving digital twinning based product development

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Digital Communications and Networks 2024年第2期10卷 273-281页

作者： Wenyi tang ling Tian Xu Zheng Ke yan School of Computer Science and Engineering University of Electronic Science and Technology of ChinaChengdu611731China

Digital twinning enables manufacturers to create digital representations of physical entities,thus implementing virtual simulations for product *** efforts of digital twinning neglect the decisive consumer feedback in product development stages,failing to cover the gap between physical and digital *** work mines real-world consumer feedbacks through social media topics,which is significant to product *** specifically analyze the prevalent time of a product topic,giving an insight into both consumer attention and the widely-discussed time of a *** primary body of current studies regards the prevalent time prediction as an accompanying task or assumes the existence of a preset ***,these proposed solutions are either biased in focused objectives and underlying patterns or weak in the capability of generalization towards diverse *** this end,this work combines deep learning and survival analysis to predict the prevalent time of *** propose a specialized deep survival model which consists of two *** first module enriches input covariates by incorporating latent features of the time-varying text,and the second module fully captures the temporal pattern of a rumor by a recurrent network ***,a specific loss function different from regular survival models is proposed to achieve a more reasonable *** experiments on real-world datasets demonstrate that our model significantly outperforms the state-of-the-art methods.

关键词： Digital twinning Product development Topic analysis Social media

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