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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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Geometric Scaling Analysis of Deep Inelastic Scattering Data Including Heavy Quarks

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Chinese Physics Letters 2016年第1期33卷 31-35页

作者：吴庆东曾吉胡元元李权波周代翠向文昌 College of Physics and Electronics Science Guizhou Normal University Institute of Particle Physics Huazhong Normal University

An analytic massive total cross section of photon proton scattering is derived, which has geometric scaling. A geometric scaling is used to perform a global analysis of the deep inelastic scattering data on inclusive structure function F2 measured in lepton-hadron scattering experiments at small values of Bjorken x. It is shown that the descriptions of the inclusive structure function F2 and longitudinal structure function FL are improved with the massive analytic structure function, which may imply the gluon saturation effect dominating the parton evolution process at HERA. The inclusion of the heavy quarks prevent the divergence of the lepton-hadron cross section, which plays a significant role in the description of the photoproduction region.

关键词： of on in Geometric Scaling Analysis of Deep Inelastic Scattering Data Including Heavy Quarks that is data been have than from

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Quasitriangular Turaev Group Coalgebras and Radford＇s Biproduct

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Algebra Colloquium 2016年第3期23卷 427-442页

作者： Shuangjian Guo ShuanhongWang School of Mathematics and Statistics Guizhou University of Finance and Economics Guiyang 550025 China department of Mathematics Southeast University Nanjing 210096 China

In this paper, we construct a new example of Hopf group coalgebras by con- sidering Radford＇s biproduct Hopf algebra in the Turaev category. Furthermore, we find some sufficient and necessary conditions for such Radf... 详细信息

关键词： Turaev category Radford's biproduct Hopf algebra Turaev group coalgebra,quasitriangular Turaev group coalgebra

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Analysis of the Diffractive Deep Inelastic Scattering Data with Running Coupling and Gluon Number Fluctuations

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Chinese Physics Letters 2016年第8期33卷 33-37页

作者：向文昌胡志海刘万松彭俊金蔡绍洪 School of Informatics Guizhou University of Finance and Economics department of Physics University of Colorado College of Physics and Electronic Science Guizhou Normal University

We study the effects of running coupling and gluon number fluctuations in the latest diffractive deep inelastic scattering data. It is found that the description of the data is improved once the running coupling and gluon number fluctuations are included with x2/d.o.f. = 0.867, x2/d.o.f. = 0.923 and x2/d.o.f. = 0.878 for three different groups of experimental data. The values of diffusive coefficient subtracted from the fit are smaller than the ones obtained by considering only the gluon number fluctuations in our previous studies. The smaller values of the diffusive coefficient are in agreement with the theoretical predictions, where the gluon number fluctuations are suppressed by the running coupling which leads to smaller values of the diffusive coefficient.

关键词： of QCD Analysis of the Diffractive Deep Inelastic Scattering Data with Running Coupling and Gluon Number Fluctuations in is that with

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Carbene-catalyzed enantioselective seleno-Michael addition as access to antimicrobial active Se-containing heterocycles

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Science China Chemistry 2024年第7期67卷 2199-2205页

作者： Hongyan Long Sha Zhao Chunyan Jian Xiuli Wu Fengfei Lu Minghong Liao Fengrui Che Xingxing Wu Yonggui Robin Chi State Key Laboratory of Green Pesticide Key Laboratory of Green Pesticide and Agricultural BioengineeringMinistry of EducationGuizhou UniversityGuiyang 550025China School of Chemistry Chemical Engineeringand BiotechnologyNanyang Technological UniversitySingapore 637371Singapore

Organoseleniums exhibit a diverse set of biological activities that are pivotal for drug discovery and are widely explored in synthetic chemistry and material *** many transformations have been developed for non-enantioselective C–Se bond formations,the catalyst-controlled stereoselective preparation of chiral organoseleniums continues to be of considerable *** particular,there are limited studies on the enantioselective seleno-Michael addition reactions to access chiral selenium functional ***,we disclose a carbene-catalyzed highly enantioselective nucleophilic C–Se bond construction through formal[3+3]annulations between selenocarboxamides and bromoenals,affording seleno-thiazinone products with good yields and excellent *** choice of a weak inorganic base was pivotal to suppressing the unproductive racemization and decomposition of the selenium ***,the catalytically generated chiral selenium-containing heterocyclic products feature remarkable antimicrobial activities that could serve as promising lead scaffolds for further agrochemical development.

关键词： seleno-Michael addition organocatalysis N-heterocyclic carbene seleno-heterocycles antimicrobial activity

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A Pair of 3D Homochiral Coordination Polymers with Open Channels Constructed by Lactic Acid Derivative Ligands and In-situ Formed Anions

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Chinese Journal of Structural Chemistry 2017年第4期36卷 671-678页

作者：徐中轩马钰璐 department of Chemistry Zunyi Normal College School of Chemical Science and Technology Yunnan University

With the help of in-situ formed CH_3COO- anion, a pair of 3D homochiral coordination polymers with open channels were constructed by the assembly of lactic acid derivative ligands, 1.4-DIB ligands and Cd（II） ions, namely [Cd3（（R）-CIA）2（CH3CO2）_2（1.4-DIB）2（H2O）2]·x（Guest）（1-D） and [Cd3（（S）-CIA）2（CH3CO2）2（1.4-DIB）2（H2O）2]·x（Guest）（1-L）. They contain 1D interesting ladder-like Cd-（R）-CIA（3-） chains and exhibit SHG-active behavior and photoluminescent property.

关键词： homochiral coordination polymers lactic acid derivative ligand open channel SHG-active behavior photoluminescent property

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Photocatalytic Degradation of Rhodamine B by Recyclable Ag Br/Polypyrrole(PPy)Nano-Catalysts

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Journal of Wuhan University of Technology(Materials Science) 2023年第5期38卷 1198-1204页

作者： YIN Xiaogang LIU Xinyun LI Hang WU Huimin FU Hai GONG Wei Key Laboratory of Functional Materials Chemistry of Gui Zhou province School of Chemistry and Materials ScienceGui Zhou Normal UniversityGuiyang 550001China School of Pharmaceutical Sciences Guizhou Medical UniversityGuiyang 550025China

We investigated the removal of the organic dye rhodamine B in wastewater with recyclable AgBr/polypyrrole(PPy)*** PPy as an active base for electron transfer,and hexadecyltrimethylammonium bromide(CTAB)as both the soft-templating agent and the bromine source,a series of AgBr/PPy nano-photocatalysts containing various proportions of silver were prepared in a convenient one-step synthesis *** synthesized catalysts were characterized by TG analysis to reveal that,in comparison with pure PPy,the interaction between PPy and AgBr led to increased thermal *** combination of PPy and AgBr was observed through XRD and XPS *** the morphology study,the AgBr particles were found to be well dispersed in the PPy nanowire network from SEM *** the photodegradation experiments,up to 92%rhodamine B was degraded by the AgBr/PPy catalysts in the period of 1 hour under 254 nm UV *** catalysts could maintain 60%catalytic efficiency after 3 cycles in the recyclability test.

关键词： polypyrrole AgBr photocatalysts rhodamine B

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Helical Coordination Polymer with a 3-Fold Interpenetration Structure Based on 5-(Hydroxymethyl)isophthalic Acid

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Chinese Journal of Structural Chemistry 2017年第7期36卷 1193-1198页

作者：徐中轩马钰璐 department of Chemistry Zunyi Normal College Zunyi Guizhou 563002 China School of Chemical Science and Technology Yunnan University Kunming 650091 China

5-（Hydroxymethyl） isophthalic acid （H2HIA） as a novel organic ligand was prepared from 3,5-bis（methoxycarbonyl）benzoic acid by a two-step method. And then, a 3D helical coor- dination polymer with a 3-fold interpenetration structure, namely [Zn1/2（HIA）1/2（DPEE）1/2]n （1）, was hydrothermally synthesized at 160 ℃, using H2HIA ligands to assemble with DPEE ligands and Zn2＋ ions. Complex 1 crystalizes in orthorhombic system, space group Pnna, with a = 8.2118（5）, b = 17.1698（7）, c =14.9922（7）？, V = 2113.82（18）？3, μ = 1.194 mm-1, Z = 4 and S = 0.967. Moreover, some physical characteristics of complex 1, such as powder X-ray diffraction （PXRD）, thermogravimetry analyses （TGA） and photoluminescent properties, were also investigated.

关键词： 5-(hydroxymethyl) isophthalic acid helical coordination polymer 3-fold interpenetration structure

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Pressure Swing Distillation for Separation of Ethyl Acetate and Ethanol in Sub-plateau Region

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China Petroleum Processing & Petrochemical Technology 2020年第1期22卷 104-110页

作者： Wang Keliang Li Jing Lian Minglei Li Zhi Du Tingzhao College of Chemistry and Materials Engineering Liupanshui Normal UniversityLiupanshui 553004 North China Company China Petroleum Engineering Co.Ltd.Renqiu 062552

The pressure swing distillation(PSD)process for separation of ethyl acetate and ethanol mixture in subplateau region was *** pressure of low-pressure column was set at 0.086 MPa,which is in accordance with the atmospheric pressure in the Yunnan-guizhou region,while the pressure of high-pressure column was determined as 0.304 *** design parameters,including the plate number,the reflux ratio,and the feeding positions,were optimized,while taking into consideration the total annual cost(TAC).Furthermore,based on the general PSD,the partially heatintegrated pressure swing distillation(PHIPSD)process and the fully heat-integrated pressure swing distillation(FHIPSD)process were also *** processes with heat integration showed lower capital cost and lower energy cost,and TACs of the PHIPSD and FHIPSD decreased to 377.21×103$/a and 371.66×103$/a,*** with the non-heat integrated process,TACs of the PHIPSD and FHIPSD could be reduced by 27.82%and 28.89%,*** results showed that the FHIPSD process could effectively separate the ethyl acetate-ethanol mixture,and it was more economical and *** work can provide some technical references for the separation of such azeotropes in the sub-plateau region.

关键词： pressure swing distillation ethyl acetate ethanol azeotrope heat-integrated

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Generalized Array Architecture with Multiple Sub-Arrays and Hole-Repair Algorithm for DOA Estimation

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Computers, Materials & Continua 2020年第7期64卷 589-605页

作者： Sheng Liu Hailin Cao Decheng Wu Xiyuan Chen School of Data Science Tongren UniversityTongren554300China Laboratory of Aerocraft Tracking Telemetering Command and Communication Chongqing UniversityChongqing400044China department of Mechanical Engineering Stanford UniversityStanford94305USA

Arranging multiple identical sub-arrays in a special way can enhance degrees of freedom(DOFs)and obtain a hole-free difference co-array(DCA).In this paper,by adjusting the interval of adjacent sub-arrays,a kind of generalized array architecture with larger aperture is *** some holes may exist in the DCA of the proposed array,they are distributed *** the partial continuity of the DCA,an extended covariance matrix can be *** value decomposition(SVD)is used to obtain an extended signal sub-space,by which the direction-of-arrival(DOA)estimation algorithm for quasi-stationary signals is *** order to eliminating angle ambiguity caused by the holes of DCA,the estimation of signal parameters via rotational invariance techniques(ESPRIT)is used to construct a matrix that includes all angle *** this matrix,a secondary extended signal sub-space can be *** signal sub-space is corresponding to a hole-free ***,dealing with the further extended signal sub-space by multiple signal classification(MUSIC)algorithm,the unambiguous DOAs of all incident signals can be *** simulation results are shown to prove the improved performance of proposed generalized array architecture in DOA estimation and the effectiveness of corresponding hole-repair algorithm in eliminating angle ambiguity.

关键词： Multiple sub-arrays DOA estimation difference co-array hole-repair

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