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Exploration of B-site alloying in partially reducing Pb toxicity and regulating thermodynamic stability and electronic properties of halide perovskites

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Science China(Physics,Mechanics & Astronomy) 2023年第3期66卷 130-138页

作者： Xinjiang Wang Muhammad Faizan Kun Zhou Hongshuai Zou qiaoling xu Yuhao Fu Lijun Zhang State Key Laboratory of Superhard Materials College of PhysicsJilin UniversityChangchun 130012China State Key Laboratory of Integrated Optoelectronics Key Laboratory of Automobile Materials of MOECollege of Materials Science and EngineeringJilin UniversityChangchun 130012China College of Physics and Electronic Engineering Center for Computational SciencesSichuan Normal UniversityChengdu 610068China International Center of Computational Method and Software Jilin UniversityChangchun 130012China

Alloying strategies provide a high degree of freedom for reducing lead toxicity,improving thermodynamic stability, tuning the optoelectronic properties of ABX3 halide perovskites by varying the alloying element species and their *** the key role of B-site cations in contributing band edge states and modulating structure factors in halide perovskites,the partial replacement of Pb2+with different B-site metal ions has been *** several experimental attempts have been made to date,the effect of B-site alloying on the stability and electronic properties of halide perovskites has not been fully ***,we take cubic CsPbBr3 perovskite as the prototype material and systematically explore the effects of B-site alloying on Pb-containing *** to the presence or absence of the corresponding perovskite phase,the ten alloying elements investigated are classified into three types(i.e.,Type Ⅰ:Sn Ge,Ca,Sr;Type Ⅱ:Cd,Mg,Mn;Type Ⅲ:Ba,Zn,Cu).Based on the first-principles calculations,we obtain the following ***,these B-site alloys will exist as disordered solid solutions rather than ordered structures at room temperature throughout the composition ***,the alloying of Sn and Ge enhances the thermodynamic stability of the cubic perovskite host,whereas the alloying of the other elements has no remarkable effect on the thermodynamic stability of the cubic perovskite ***,the underlying physical mechanism for bandgap tuning can be attributed to the atomic orbital energy mismatch or quantum confinement ***,the alloying of different elements demonstrates the diversity in the regulation of crystal structure and electronic properties,indicating potential applications in photovoltaic s and self-trapped exciton-based light-emitting *** work provides theoretical guidance for using alloying strategies to reduce lead toxicity,enhance stability,and optimize the electronic properties of halide perovsk

关键词： lead-based halide perovskites alloying thermodynamic stability first-principles calculations optoelectronic applications

Rod-shaped thiocyanate-induced abnormal band gap broadening in SCN^- doped CsPbBr3 perovskite nanocrystals

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Nano Research 2018年第5期11卷 2715-2723页

作者： Yongbing Lou Yandan Niu Dongwen Yang qiaoling xu Yuhang Hu Ying Shen Jing Ming Jinxi Chen Lijun Zhang Yixin Zhao Jiangsu Key Laboratory of Advanced Metallic Materials School of Chemistry and Chemical Engineering Southeast University Nanjing 211189 China Key Laboratory of Automobile Materials of MOE State Key Laboratory of Superhard Materials and College of Materials Science Jilin University Changchun 130012 China School of Environmental Science and Engineering Shanghai Jiao Tong University 800 Dongchuan Road Shanghai 200240 China

In this work, the pseudohalide thiocyanate has been demonstrated as a promising alternative to the halide anion to engineer optoelectronic properties of inorganic/ organic hybrid perovskites because it exhibits better chemical stability than the halide anion. Previous reports have suggested that the ionic radii and electronegativity of SCN- is close to that of I^-; the SCN^- doped CH3NH3PbI3 exhibited similar optical properties as pure CH3NH3PbI3. Consequently, it was expected that doping of CsPbBr3 perovskite with SCN^- would result in band gap narrowing. Interestingly, the photoluminescent all-inorganic CsPbBr3 perovskite nanocrystals exhibit an abnormal blue shift in optical properties and improvement of the crystallinity when successfully doped by SCN^-. Combined experimental and theoretical investigations revealed that doping of the CsPbBr3 perovskite with the rod-like SCN^- anion introduced disorder in the crystal lattice, leading to its expansion, and impacted the electronic structure of the perovskite with band gap broadening.

关键词： pseudohalide thiocyanate doping perovskite nanocrystals cesium lead halide

Hybrid Differential Evolution for Estimation of Kinetic Parameters for Biochemical Systems

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Chinese Journal of Chemical Engineering 2013年第2期21卷 155-162页

作者： ZHAO Chao xu qiaoling LIN Siming LI xuelai College of Chemistry and Chemical Engineering Fuzhou University Fuzhou 350108 China

Determination of the optimal model parameters for biochemical systems is a time consuming iterative process. In this study, a novel hybrid differential evolution （DE） algorithm based on the differential evolution technique and a local search strategy is developed for solving kinetic parameter estimation problems. By combining the merits of DE with Gauss-Newton method, the proposed hybrid approach employs a DE algorithm for identifying promising regions of the solution space followed by use of Gauss-Newton method to determine the optimum in the identified regions. Some well-known benchmark estimation problems are utilized to test the efficiency and the robustness of the proposed algorithm compared to other methods in literature. The comparison indicates that the present hybrid algorithm outperforms other estimation techniques in terms of the global searching ability and the con- vergence speed. Additionally, the estimation of kinetic model parameters for a feed batch fermentor is carried out to test the applicability of the proposed algorithm. The result suggests that the method can be used to estimate suitable values of model oarameters for a comolex mathematical model.

关键词： parameter estimation kinetic model hybrid differential evolution Gauss-Newton feed batch fermentor

Sensory and chemical assessment of silver pomfret (Pampus argenteus) treated with Ginkgo biloba leaf extract treatment during storage in ice

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Aquaculture and Fisheries 2018年第1期3卷 30-37页

作者： Weiqing Lan xu Che qiaoling xu Ting Wang Ruoyuan Du Jing Xie Min Hou Han Lei College of Food Science&Technology Shanghai Ocean UniversityShanghai 201306China Shanghai Engineering Research Center of Aquatic Product Processing&Preservation Shanghai 201306China

This study investigated the physical(L*,a*,b*,texture profile analyses,pH),chemical(TVB-N,K value and TBA),microbiological,amino acid content,and flavor effects that Gingko biloba leaf extract(GBLE)had on silver pomfret(Pampus argenteus)stored at 4±1C in ice for 18 *** pomfret samples were obtained directly from the local fish market and transported to the laboratory with ice *** being gutted,washed,filleted and trimmed in a water-ice mixture,samples were treated with different concentrations of GBLE(0.0 mg/mL,2.5 mg/mL,5.0 mg/mL,10.0 mg/mL)and packaged in Polyethylene bag,then stored in a refrigerator at 4±1C with *** results show that the shelf-life of untreated(0.0 mg/mL)pomfret samples was 8e9 days compared to 14e15 days for the GBLE1(2.5 mg/mL)treated *** assessment results showed that different concentrations of GBLE had variable effects on preserving the texture parameters of acceptability limit,inhibit lipid oxidation,protein degradation,and microorganism growth.2.5 mg/mL of GBLE was the best for the preservation of pomfret during storage in ***,there is potential use for GBLE as a preservative to extend the shelf-life of pomfret during chilled storage in ice.

关键词： Pomfret Ginkgo biloba leaf extract(GBLE) Shelf-life Ice storage

Contributions of Different Wetland Plants to Nitrogen and Phosphorus Removal in Constructed Wetlands

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Meteorological and Environmental Research 2021年第4期12卷 34-38页

作者： qiaoling xu xueyuan WEN School of Resources and Environmental Engineering Anshun UniversityAnshun 561000China

Constructed wetlands with Cyperus altrnlifolius,Pennisetum sinese Roxb and elephant grass as vegetation were built to study the nitrogen and phosphorous removal from domestic sewage in cold *** was found that these three plants could all grow slowly and stably under low temperature stress in winter,and the biomass,nitrogen and phosphorus absorption characteristics and absorbing capacity of the three plants were *** growth rate and biomass were as follows:*** Roxb>elephant grass>***,and these three plants could be used as winter wetland decontamination plants in Southwest China;the absorption characteristics of nitrogen and phosphorus in different tissues of the three plants were as follows:nitrogen content in leaf>nitrogen content in stem,phosphorus content in stem>phosphorus content in leaf;the removal of total nitrogen(TN)by three plants in the wetland was ranged form 4.3%to 7.8%,and the removal of total phosphorus(TP)was ranged from 3.3%to 5.3%.Different plants had different absorption effects on nitrogen and *** was a significantly positive correlation between plant nitrogen and phosphorus accumulation and biomass,and nitrogen removal rate in wetland showed a significantly positive correlation with biomass.

关键词： Constructed wetlands Biomass Nitrogen and phosphorus accumulation Low temperature stress

The Effect of Two Factor Combination of Three Kinds of Loading on the Soil Clogging in Vertical Flow Constructed Wetland

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环境科学前沿（中英文版） 2013年第4期2卷 55-62页

作者： qiaoling xu Lihua Cui Ling Zhang Zixia Li Guangwei Yu College of Natural ResOurce & Environment South China Agricultural University Guangzhou 510642 China

收入不确定与生育意愿——基于阶层流动的调节效应

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经济与管理研究 2019年第5期40卷 61-73页

作者：徐巧玲太原工业学院经济与管理系华中科技大学经济学院

本文基于中国综合社会调查(CGSS)数据,采用Logit回归模型检验了收入不确定、阶层流动与生育意愿的关系。结果显示:收入不确定显著抑制了二孩生育意愿;与高收入阶层相比,低收入家庭脆弱性更大,收入不确定显著抑制其生育意愿;暂时性收入... 详细信息

本文基于中国综合社会调查(CGSS)数据,采用Logit回归模型检验了收入不确定、阶层流动与生育意愿的关系。结果显示:收入不确定显著抑制了二孩生育意愿;与高收入阶层相比,低收入家庭脆弱性更大,收入不确定显著抑制其生育意愿;暂时性收入波动对男性二孩生育意愿的抑制作用更明显,但并未降低女性二孩生育意愿;失业率显著降低了女性二孩生育意愿,却并未降低男性二孩生育意愿;社会阶层流动增加了二孩生育意愿,并显著降低了收入不确定对二孩生育的不利影响。

关键词：收入不确定阶层流动生育意愿高收入家庭低收入家庭失业率

科技投入产出的相对效率评价研究——基于DEA的BCC模型与SE-CCR模型的分析

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科技管理研究 2014年第1期34卷 66-70页

作者：徐巧玲河海大学商学院江苏南京211100

结合DEA的BCC模型与SE-CCR模型,对我国30个省域的科技投入产出的相对效率进行评价与分析。实证结果表明,我国绝大部分省域的科技投入产出处于非DEA有效状态,受技术无效与规模无效的双重作用的影响。鉴于它们处于规模报酬递减状态,为提... 详细信息

结合DEA的BCC模型与SE-CCR模型,对我国30个省域的科技投入产出的相对效率进行评价与分析。实证结果表明,我国绝大部分省域的科技投入产出处于非DEA有效状态,受技术无效与规模无效的双重作用的影响。鉴于它们处于规模报酬递减状态,为提高科技投入产出效率,应在既定投入规模下加强提升科技管理水平,不断增加科技产出。

关键词：科技投入产出效率 DEA BCC模型 SE—CCR模型

COD Removal Mechanism of Different Compound Substrates in Vertical Flow Constructed Wetland

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环境科学前沿（中英文版） 2013年第4期2卷 46-54页

作者： Guowan Li Lihua Cui qiaoling xu Zhiping Liu Jiahao Fan Hongcan Cui College of Natural Resource and Environment South China Agricultural University Guangzhou 510642 China College of Environmental Science & Engineering Environmental Engineering major 2012 grade Donghua University Shanghai201620 China