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Bifunctional bridging capping layer enables 24.5% efficiency of perovskite solar cells with polymer-based hole transport materials

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Science China Chemistry 2025年第1期 350-359页

作者： Can Zhu Yiyang Wang Lei Meng Beibei Qiu Jing Li Shucheng Qin Ke Hu Xin Jiang Wenbin lai Minchao Liu Zhe Liu Chenxing Lu Jinyuan Zhang Yongfang Li Beijing National Laboratory for Molecular Sciences CAS Key Laboratory of Organic Solids Institute of Chemistry Chinese Academy of Sciences School of Chemical Science University of Chinese Academy of Sciences Key Laboratory of Solid State Optoelectronic Devices of Zhejiang Province College of Physics and Electronic Information Engineering Zhejiang Normal University Key Laboratory of Photochemical Conversion and Optoelectronic Materials Technical Institute of Physics and ChemistryChinese Academy of Sciences Laboratory of Advanced Optoelectronic Materials College of Chemistry Chemical Engineering and Materials ScienceSoochow University

Developing a bridge capping layer between perovskite and hole transport layer materials（HTMs） in the n-i-p perovskite solar cells（pero-SCs） is an effective approach to modify the morphology of HTMs and passivate the perovskite ***, we select the quinoxaline-based bifunctional passivation agent, quinoxalin-6-yl-methylamine hydrochloride（Qx MACl）,as the bridging layer, and a D-A copolymer PBQ12 containing the same quinoxaline unit as an HTM for the n-i-p pero-SCs. Due to the π-π stacking among the common quinoxaline units in the bridge layer and HTM, Qx MACl induces the π-π stacking of the PBQ12 film and improves the film morphology of HTMs with better conductivity. Additionally, Qx MACl can effectively passivate the perovskite surface, and PBQ12 possesses appropriate energy levels and high hole mobility. The pero-SCs based on FAPbI3with PBQ12/Qx MACl treatment showed a higher power conversion efficiency（PCE） of 24.05% and outstanding stability, maintaining 95.4% and 92.1% of its initial PCE after 750 h of storage and after over 800 h of thermal annealing at 85 °C, respectively. To further enhance the PCE of the PBQ12/Qx MACl-based devices, we developed a non-metal ion dopant for the PBQ12 HTM. Through trace doping of PBQ12 HTM by the non-metal ion dopant, the PCE of the PBQ12/Qx MACl-based devices reached 25.24%（the calibrated PCE of 24.55% by the National Institute of Metrology, China）.

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Electrostatic potential of several small molecules from density functional theory

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原子与分子物理学报 2006年第B4期23卷 29-33页

作者： WANG Dong-lai ZHAI Yu-chun College of Materials and Metallurgy Northeastern University Shenyang 110006P. R. China Department of Chemistry Anshan Teachers College Anshan 114005 P. R. China

A number of density functional theory (DFT) methods were used to calculate the electrostatic potential for the series of molecules N2, F2, NH3, H2O, CHF3, CHCl3, C6H6, TiF4, CO(NH2)2 and C4H5N3O compared with QCISD (quadratic configuration interaction method including single and double substitutions) results. Comparisons were made between the DFT computed results and the QCISD ab initio ones and MP2 ab initio ones, compared with the root-mean-square deviation and electrostatic potential difference contours figures. It was found that the hybrid DFT method B3LYP, yields electrostatic potential in good agreement with the QCISD results. It is suggest this is a useful approach, especially for large molecules that are difficult to study by ab initio methods.

关键词：密度函数理论静电势能 DFT 交互作用

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A Coordination-Based Algorithm for Dedicated Destination Vehicle Routing in B2B E-Commerce

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Computer Systems Science & Engineering 2022年第3期40卷 895-911页

作者： Tsung-Yin Ou Chen-Yang Cheng chun Hsiung lai Hsin-Pin Fu Department of Marketing and Distribution Management National Kaohsiung University of Science and TechnologyTaiwan Department of Industrial Engineering and Management Taipei University of TechnologyTaiwan Department of Enterprise Information and Industrial Engineering Tunghai UniversityTaiwan

This paper proposes a solution to the open vehicle routing problem with time windows(OVRPTW)considering third-party logistics(3PL).For the typical OVRPTW problem,most researchers consider time windows,capacity,routing limitations,vehicle destination,*** researchers who previously investigated this problem assumed the vehicle would not return to the depot,but did not consider its final ***,by considering 3PL in the B2B e-commerce,the vehicle is required back to the nearest 3PL location with available *** paper formulates the problem as a mixed integer linear programming(MILP)model with the objective of minimizing the total travel distance.A coordinate representation particle swarm optimization(CRPSO)algorithm is developed to obtain the best delivery sequencing and the capacity of each *** of the computational study show that the proposed method provides solution within a reasonable amount of ***,the result compared to PSO also indicates that the CRPSO is effective.

关键词： Third-party logistics open vehicle routing problem with time windows dedicated destination Notations

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Multi-slice computed tomography manifestations of hepatic epithelioid angiomyolipoma

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World Journal of Gastroenterology 2014年第12期20卷 3364-3368页

作者： chun-lai Dai Li-Ping Xue Yu-Mei Li Department of Radiology the First Hospital of Jilin University Press of Maternal and Child Health Care of China Medicine Periodical House of Jilin Province Department of Pediatrics the First Hospital of Jilin University

AIM: To explore the characteristics of multi-slice computed tomography (CT) manifestations of hepatic epithelioid angiomyolipoma (HEA), improve the rate of accurate diagnosis, and reduce the misdiagnostic rate.

关键词： Liver Epithelioid Angiomyolipoma Computed tomography

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Deciphering fluid origins in the Paleozoic Laoshankou Fe-Cu-Au deposit, East Junggar: Constraints from noble gases and halogens

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Geoscience Frontiers 2021年第5期12卷 69-80页

作者： Pei Liang Huayong Chen Liandang Zhao Chao Wu Yuling Xie chun-Kit lai Civil and Resource Engineering School University of Science and Technology BeijingBeijing 100083China Key Laboratory of Mineralogy and Metallogeny Guangzhou Institute of GeochemistryChinese Academy of SciencesGuangzhou 510640China Guangdong Provincial Key Laboratory of Mineral Physics and Materials Guangzhou 510640China School of Earth Science and Resource Chang'an UniversityXi'an 710064China Faculty of Science Universiti Brunei DarussalamGadong BE1410Brunei Darussalam

To constrain the ore-fluid source(s)of the Laoshankou Fe-Cu-Au deposit(Junggar orogen,NW China),we analyzed the fluid inclusion(FI)noble gas(Ar,Kr and Xe)and halogen(Cl,Br and I)compositions in the hydrothermal epidote and *** hypogene alteration/mineralization stages,including(I)pre-ore Ca-silicate,(II)early-ore amphibole-epidote-magnetite,(III)late-ore pyrite-chalcopyrite,and(IV)post-ore hydrothermal veining,have been identified at *** II FIs have salinity of 15.7 wt.%(NaCl eq.),I/Cl molar ratios of 75×10^(−6)-135×10^(−6),and Br/Cl molar ratios of 1.4×10^(−3)-2.1×10^(−3).The moderately-high seawatercorrected Br*/I ratios(0.5-1.5)and low 40ArE/Cl slope(-10−5)indicate the presence of sedimentary marine pore fluid,which was modified by seawater reacting with the Beitashan *** *** III fluid is more saline than their stage II and IV counterparts,reaching up to 23.3 wt.%(NaCl+CaCl2 eq.)close to halite saturation(-26 wt.%).The fluid has I/Cl ratios of 75×10^(−6)-90×10^(−6) and Br/Cl ratios of 1.5×10^(−3)-1.8×10^(−3).Considering the increasing 40ArE/Cl trend toward bittern brine and the higher 36Ar content than air-saturated water(ASW),a bittern fluid source is inferred from seawater evaporation,which was modified by interaction with organic-rich marine sedimentary *** IV FIs have lower temperature(110-228°C)and Br/Cl(0.90×10^(−3)-1.2×10^(−3)),but higher 36Ar content than ASW,indicative of dissolved evaporite or halite *** also the lowδDfluid(−114‰to−144‰)andδ18Ofluid(2.1‰-3.5‰)values,meteoric water(with minor dissolved evaporites)likely dominated the stage IV *** evaporites may have formed through continuous evaporation of the stage III surface-derived *** of non-magmatic fluids and different ore-fluid origins in stages II and III suggest that the ore-forming process was different from a typical magmatichydrothermal fluid-dominated skarn mineralization,which was previously proposed for Laosh

关键词： Halogen and noble gas Fluid inclusion Non-magmatic fluids Laoshankou Fe-Cu-Au deposit Central Asian Orogenic Belt(CAOB)

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Timing of carbonatite-hosted U-polymetallic mineralization in the supergiant Huayangchuan deposit,Qinling Orogen:Constraints from titanite U-Pb and molybdenite Re-Os dating

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Geoscience Frontiers 2020年第5期11卷 1581-1592页

作者： Hui Zheng Huayong Chen Dengfeng Li Chao Wu Xi Chen chun-kit lai Key Laboratory of Mineralogy and Metallogeny Guangzhou Institute of GeochemistryChinese Academy of SciencesGuangzhou 510640China University of Chinese Academy of Sciences Beijing 100049China School of Marine Sciences Sun Yat-sen UniversityGuangzhou 510006China School of Earth Science and Technology Southwest Petroleum UniversityChengdu 610000China Faculty of Science Universiti Brunei DarussalamGadongBE1410Brunei Darussalam

The newly-discovered supergiant Huayangchuan uranium(U)-polymetallic(Sr,Se,REEs,Ba,Nb and Pb)deposit is located in the Qinling Orogen,central *** deposit underwent multistage mineralization,with the main carbonatite ore stage being the most important for the U,Nb,REE,Sr and Ba *** to the mineral assemblages,the main carbonatite ore stage can be divided into three substages,i.e.,sulfate(Ba-Sr),alkali-rich U and REE-U ***-stage titanite from the Huayangchuan igneous carbonatite are rich in high field strength elements(HFSEs,e.g.,Zr,Nb and REEs),and show clear elemental substitutions(e.g.,Ti ***+Fe+Al and Ca+Ti ***+Al+REE).High-precision LA-ICP-MS titanite dating yielded a U-Pb age of 209.0±2.9 Ma,which represents the mainstage mineralization age at Huayangchuan,and is coeval with the local carbonatite dyke *** mineralization age is further constrained by the Re-Os dating of molybdenite from the Huayangchuan carbonatite,which yielded a weighted mean age of 196.8±2.4 *** Re contents(337.55-392.75 ppm)and C-OSr-Nd-Pb isotopic evidence of the Huayangchuan carbonatite both suggest a mantle origin for the *** study supports that the Late Triassic carbonatite magmatism was responsible for the world-class U-Mo-REE mineralization in the Qinling Orogen,and that the regional magmatism and ore formation was likely caused by the closure of the Mianlue ocean and the subsequent North China-South China continent-continent collision.

关键词： Carbonatite-hosted U-Polymetallic deposits Titanite U–Pb dating Molybdenite Re–Os dating Huayangchuan deposit Qinling orogen

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The penetrating depth analysis of Lunar Penetrating Radar onboard Chang＇e-3 rover

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Research in Astronomy and Astrophysics 2017年第5期17卷 79-90页

作者： Shu-Guo Xing Yan Su Jian-Qing Feng Shun Dai Yuan Xiao chun-Yu Ding chun-lai Li National Astronomical Observatories Chinese Academy of Sciences Beijing 100012 China University of Chinese Academy of Sciences Beijing 100049 China

Lunar Penetrating Radar（LPR） has successfully been used to acquire a large amount of scientific data during its in-situ detection. The analysis of penetrating depth can help to determine whether the target is within the effective detection range and contribute to distinguishing useful echoes from ***, this study introduces two traditional methods, both based on a radar transmission equation, to calculate the penetrating depth. The only difference between the two methods is that the first method adopts system calibration parameters given in the calibration report and the second one uses high-voltage-off radar data. However, some prior knowledge and assumptions are needed in the radar equation and the accuracy of assumptions will directly influence the final results. Therefore, a new method termed the Correlation Coefficient Method（CCM） is provided in this study, which is only based on radar data without any a priori assumptions. The CCM can obtain the penetrating depth according to the different correlation between reflected echoes and noise. To be exact, there is a strong correlation in the useful reflected echoes and a random correlation in the noise between adjacent data traces. In addition, this method can acquire a variable penetrating depth along the profile of the rover, but only one single depth value can be obtained from traditional methods. Through a simulation, the CCM has been verified as an effective method to obtain penetration depth. The comparisons and analysis of the calculation results of these three methods are also implemented in this study. Finally, results show that the ultimate penetrating depth of Channel 1 and the estimated penetrating depth of Channel 2 range from 136.9 m to 165.5 m（ε_r = 6.6） and from 13.0 m to 17.5 m（ε_r = 2.3）, respectively.

关键词： penetrating Lunar rover lunar assumptions calibration ultimate traces Correlation verified

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Characterizing ionic species in PM_(2.5) and PM_(10) in four Pearl River Delta cities,South China

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Journal of Environmental Sciences 2007年第8期19卷 939-947页

作者： lai Sen-chao ZOU Shi-chun CAO Jun-ji LEE Shun-cheng HO Kin-fai School of Chemistry and Chemical Engineering Sun Yat-sen University Guangzhou 510275 China. Department of Civil and Structural Engineering The Hong Kong Polytechnic University Hong Kong State Key Laboratory of Loess and Quaternary Geology Institute of Earth Environment Chinese Academy of Sciences Xi＇ an 710075 China

PM2.5 and PM10 samples were collected at four major cities in the Pearl River Delta （PRD）, South China, during winter and summer in 2002. Six water-soluble ions, Na^＋, NH4＋, K^＋, Cl^-, NO3^- and SO4^2- were measured using ion chromatography. On average, ionic species accounted for 53.3% and 40.5% for PM2.5 and PM10, respectively in winter and 39.4% and 35.2%, respectively in summer. Secondary ions such as sulfate, nitrate and ammonium accounted for the major part of the total ionic species. Sulfate was the most abundant species followed by nitrate. Overall, a regional pollution tendency was shown that there were higher concentrations of sulfate, nitrate and ammonium in Guangzhou City than those in the other PRD cities. Significant seasonal variations were also observed with higher levels of species in winter but lower in summer. The Asian monsoon system was favorable for removal and diffusion of air pollutants in PRD in summer while highly loading of local industrial emissions tended to deteriorate the air quality as well. NO3^-/SO4^2- ratio indicated that mobile sources have considerably contribution to the urban aerosol, and stationary sources should not be neglected. Besides the primary emissions, complex atmospheric reactions under favorable weather conditions should be paid more attention for the control of primary emission in the PRD region.

关键词： water-soluble ions seasonal and spatial variations Pearl River Delta

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Syntheses and Crystal Structures of Cobalt(II) Chloride Complexes of 1,3-Bis(pyridyl-4-ylthio)propan-2-one

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Chinese Journal of Structural Chemistry 2006年第5期25卷 511-516页

作者： WU Ben-lai WU Ming-Yan GONG Ya-Qiong CHEN Bai-Quan HONG Mao-chun State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of Matter The Chinese Academy of Sciences Fuzhou Fujian 350002 China

Reactions of 1,3-bis（pyridyl-4-ylthio）propan-2-one L and COCl2·6H2O under different conditions gave two new cobalt（Ⅱ）-chloride-L complexes with distinct structures. Complex [Co（L）2Cl2]·0.5CH3OH}n 1 prepared by solvothermal treatment is a 3D network, whereas complex {[Co3（L）2Cl6（DMF）4]·2CH3OH·H2O} 2 obtained in DMF-diethyl ether system is a discrete acyclic trimer. Crystal data for 1： space group lbca, a = 15.993（4）, b = 18.454（5）, c = 21.506（6）A, V= 6347（3） ,A^3, Z = 8, Dc = 1.462 g/cm^3,μ = 1.005 mm^-1, F（000） = 2864, C26.5H26Cl2CoN4O2.5S4, Mr = 698.58, the final R = 0.0499 and wR = 0.1024. Crystal data for 2： space group P1^-, a = 9.9177（6）, b = 11.0871 （4）, c = 15.5490（12） ,A, α = 83.1834（14）,β = 88.910（13）, γ = 71.096（ 11 ）°, V = 1605.8（2） A^3, Z = 1, Dc = 1.362 g/cm^3,μ= 1.194 mm^-1, F（000） = 677, C40H62Cl6Co3N8O9S4, Mr = 1316.71, the final R = 0.0666 and wR =0.1575.

关键词： cobalt chloride complex 1,3-bis(pyridyl-4-ylthio)propan-2-one crystal structure

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Modeling of an Impinging Oxygen Jet on Molten Bath Surface in 150t EAF

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Journal of Iron and Steel Research International 2011年第9期18卷 13-20页

作者： HE chun-lai ZHU Rong DONG Kai QIU Yong-quan SUN Kai-ming Metallurgical and Ecological Engineering School University of Science and Technology Beijing Beijing 100083 China Tianjin Pipe (Group) Corporation Tianjin 300301 China

A transient three-dimensional mathematical model has been developed to analyze the three-phase flow in a 150 t EAF （electric arc furnace） using oxygen. VOF （multiphase volume of fluid） method is used to simulate the behaviors of molten steel and slag. Numerical simulation was conducted to clarify the transient phenomena of oxygen impingement on molten bath. When oxygen jet impinges on the surface of molten bath, the slag layer is broken and the penetrated cavity in molten steel is created. Simultaneously, the wave is formed at the surface of uncovered steel on which the slag layer is pushed away by jet. The result of numerical simulations shows that the area and velocity of uncovered steel created by impingement, jet penetration depth change from 0. 10 m2 , 0. 012 5 m/s, 3.58 cm to 0.72 m2 , 0. 1445 m/s, 11.21 cm, when the flow rate of an oxygen lance varies from 500 to 2000 m3/h. The results have been validated against water model experiments. More specially, the relation between the penetration depth and oxygen flow rate predicted by numerical simulation has been found to agree well with that concluded by water model.

关键词： electric arc furnace three-phase flow numerical simulation

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