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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

The variation of microbiological characteristics in surface waters during persistent precipitation

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Frontiers of Environmental Science & Engineering 2024年第9期18卷 67-78页

作者： Xinyan Xiao Chenlan Chen Haoran Li Lihua Li Xin Yu College of the Environment&Ecology Xiamen UniversityXiamen 361102China Fujian Key Laboratory of Coastal Pollution Prevention and Control Xiamen UniversityXiamen 361102China

Climate change leads to an increase in both the frequency and intensity of extreme *** runoff generated by extreme precipitation has a significant impact on ***,the impact of persistent precipitation on surface water quality is easy to neglect,due to its prolonged duration and lower-intensity *** study established eight sampling points within selected surface waters to observe the variation of microbial characteristics in a typical persistence precipitation *** primary difference between Furong Lake(FL)and Chengqian Reservoir(CR)was:the concentrations of dissolved organic carbon(DOC)were 21.3±0.7 and 8.3±1.5 mg/L in FL and CR,*** concentrations of R2A culturable bacteria and coliforms were 10^(4.57)and 10^(1.58)colony-forming units(CFU)/mL in FL,and were 10^(5.46)and 10^(2.64)CFU/mL in CR,*** precipitation,the maximum increase concentrations of R2A,NA culturable bacteria,and coliforms were 10^(0.75),10^(1.30),and 10^(2.27)CFU/mL in FL,***,microbial concentration and rainfall did not increase simultaneously,and a delay phenomenon was observed in the increasing microbial *** analyzing the concentration change trends and correlation of various water quality indicators during persistent precipitation,the significant correlation between the DOC concentration and the changes in the dominant species of microbial community structure was found in this study(p<0.05).For example,as the DOC concentration declined,the abundance of hgcl_clade and CL500-29_marine_group ***,although persistent precipitation might not obviously alter the water quality visibly,it could still pose potential microbial risks.

关键词： Rainfall Dissolved organic carbon Culturable bacteria Water quality Microbial community structure Climate change

Two innovative equivalent statements of the third law of thermodynamics

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Chinese Physics B 2024年第6期33卷 324-328页

作者：陈晓航周颖慧陈金灿 Department of Physics Xiamen UniversityXiamen 361005China

It is found from textbooks and literature that there are three different statements for the third law of thermodynamics,i.e., the Nernst theorem, the unattainability statement of absolute zero temperature, and the heat capacity statement. It is pointed out that such three statements correspond to three thermodynamic parameters, which are, respectively, the entropy,temperature, and heat capacity, and can be obtained by extrapolating the experimental results of different parameters at ultralow temperatures to absolute zero. It is expounded that because there is no need for additional assumptions in the derivation of the Nernst equation, the Nernst theorem should be renamed as the Nernst statement. Moreover, it is proved that both the Nernst statement and the heat capacity statement are mutually deducible and equivalent, while the unattainability of absolute zero temperature is only a corollary of the Nernst statement or the heat capacity statement so that it is unsuitably referred to as one statement of the third law of thermodynamics. The conclusion is that the Nernst statement and the heat capacity statement are two equivalent statements of the third law of thermodynamics.

关键词： Nernst statement heat capacity statement Nernst theorem absolute zero temperature the third law of thermodynamics

Wide-color-gamut, high-purity, and high-brightness thin film structural colors based on modified Fano resonant structure

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Chinese Optics Letters 2024年第8期22卷 113-118页

作者： Weijie Chen Zexiang He Zhenzhen Duan Jian Yang Ning Wang Dan Wang Zexiong Hu Nan Chen Zhengqian Luo Yikun Bu School of Electronic Science and Engineering Xiamen UniversityXiamen 361005China Fujian Key Laboratory of Ultrafast Laser Technology and Applications Xiamen UniversityXiamen 361005China

Recently, the Fano resonance has played an increasingly important role in improving the color performance of structural colors. In this study, we further elucidate the asymmetric spectral shape generated by Fano resonance from a phase perspective and explore four distinct continuum state structures. By integrating the proposed cavity-like structure with a metal±dielectric±metal discrete state, multilayered thin-film structural colors with minimal background reflection, as low as 8%, were successfully achieved. The reflection peak of this structure exhibits a bandwidth of approximately50 nm and reaches up to 80%, indicating heightened saturation and color brightness. Moreover, by adjusting the thickness,we effortlessly obtained a broader color gamut compared to Adobe RGB (45.2%), covering 56.7% of the CIE color space. Even adjusting a single layer can achieve a color gamut of 47.1%. In experiments, by deliberately choosing low oxygendependent materials, excellent RGB colors with high brightness and in high consistency with simulation results were successfully achieved. Therefore, the scheme's simple process for structural color creation, along with its excellent color performance and the ability to effectively replicate simulation characteristics makes it highly valuable in fields like anticounterfeiting, decoration, display devices, and solar cell panels.

关键词： Fano resonance structural colors full color thin films high saturation

Numerical study of steady flow characteristics of a rear variable-area bypass injector with alternating area regulator

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Chinese Journal of Aeronautics 2024年第5期37卷 180-198页

作者： Runfu LIU Zhenyao LI Huiliu ZHANG Qixing WANG Yue HUANG Yancheng YOU School of Aerospace Engineering Xiamen UniversityXiamen 361000China

The mixing effectiveness of the airflow between the inner and outer bypass inlets of a Rear Variable-Area Bypass Injector(RVABI)is the key to the afterburner performance of variable cycle *** paper describes an optimized RVABI design based on an alternating area regulator to improve the velocity/temperature uniformity of the incoming flow at the *** with a classical RVABI,numerical simulations show that the proposed alternating RVABI performs better in terms of thermal mixing efficiency and total pressure loss in different variable cycle engine *** the increasing air contact area between the inner and outer bypass of alternating structure RVABI,and a larger streamwise vortex in the inner bypass inlet due to the proposed alternating lobe structure in the RVABI contribute to the significantly increase of mixing ***,the alternating regulator induces strong streamwise vortex,which helps to improve the airflow mixing with its vortex-induced *** interaction between the streamwise vortex and azimuthal vortex further promises the velocity/temperature uniformity after the *** the increase of alternating lobe’s height ratio,the covering area of the streamwise vortex and the azimuthal vortex is enlarged,which further enhances the thermal mixing efficiency of the *** design gives an insight into the future design and optimization of RVABI.

关键词： Alternating area regulator Lobed mixer Variable cycle engine Rear Variable-Area Bypass Injector(RVABI) Streamwise vortex

An Enhanced Conic Reformulation for Capacity-Constrained Assortment Optimization Under the Mixture of Multinomial Logit Model

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Journal of the Operations Research Society of China 2024年第3期12卷 757-771页

作者： Shan Jiang Ka-Meng Nip School of Management Xiamen UniversityXiamen361005FujianChina School of Mathematical Sciences Xiamen UniversityXiamen361005FujianChina

In this work,we study the conic quadratic mixed-integer formulation for assortment optimization problem under the mixture of multinomial logit(MMNL)*** MMNL model generalizes the widely studied multinomial logit choice model and can approximate any random utility model with an arbitrary additive *** important operational decision problem in revenue management is assortment optimization problem,which aims to find a subset of products to make available to customers that maximizes the expected revenue of the *** is known that assortment optimization problem under the MMNL model is NP-hard and inapproximable within any constant performance *** used methods for solving such problem are heuristical approaches or customized combinatorial optimization *** the meanwhile,studies related to global optimization approaches are relatively *** propose an enhanced conic quadratic mixed-integer formulation for solving assortment optimization problem under the MMNL model with a higher computational ***,we conduct extensive numerical experiments to demonstrate that the proposed reformulation significantly outperforms the existing conic reformulations for assortment optimization under the MMNL model.

关键词： Assortment optimization MMNL model Conic reformulation Capacitated constrained

Evolution of helium bubbles in FeCoNiCr-based high-entropy alloys containing γ′ nanoprecipitates

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Chinese Physics B 2024年第7期33卷 491-500页

作者：冯婷蒋胜明胡潇天张子骏黄子敬董士刚张建 College of Energy Xiamen UniversityXiamen 361005China16

A series of high-entropy alloys(HEAs) containing nanoprecipitates of varying sizes is successfully prepared by a non-consuming vacuum arc melting *** order to study the irradiation evolution of helium bubbles in the FeCoNiCrbased HE As with γ' precipitates,these samples are irradiated by 100-keV helium ions with a fluence of 5 × 10^(20) ions/m^(2) at 293 K and 673 K,*** the samples irradiated at room temperature are annealed at different temperatures to examine the diffusion behavior of helium *** electron microscope(TEM) is employed to characterize the structural morphology of precipitated nanoparticles and the evolution of helium *** results reveal that nanosized,spherical,dispersed,coherent,and ordered L1_(2)-type Ni_(3)Ti γ' precipitations are introduced into FeCoNiCr(Ni_(3)Ti)_(0.1) HEAs by means of ageing treatments at temperatures between 1073 K and 1123 *** the ageing treatment conditions adopted in this work,γ' nanoparticles are precipitated in FeCoNiCr(Ni_(3)Ti)_(0.1) HE As,with average diameters of 15.80 nm,37.09 nm,and 62.50 nm,*** average sizes of helium bubbles observed in samples after 673-K irradiation are 1.46 nm,1.65 nm,and 1.58 nm,*** improvement in the irradiation resistance of FeCoNiCr(Ni_(3)Ti)_(0.1) HEAs is evidenced by the diminution in bubbles ***,the FeCoNiCr(Ni_(3)Ti)_(0.1) HEAs containing γ' precipitates of 15.8 nm exhibits the minimum size and density of helium bubbles,which can be ascribed to the considerable helium trapping effects of heterogeneous coherent phase ***,annealing experiments conducted after 293-K irradiation indicate that HEAs containing precipitated phases exhibits smaller apparent activation energy(E_(a)) for helium bubbles,resulting in larger helium bubble *** study provides guidance for improving the irradiation resistance of L1_(2)-strengthened high-entropy alloy.

关键词： high-entropy alloys irradiation resistance coherent precipitates helium bubbles

A MOF/poly(thioctic acid)composite for enhanced gold extraction from water matrices

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Nano Research 2024年第1期17卷 382-389页

作者： Ruiqing Li Sen Yan Tianwei Xue Rongxing Qiu Yin Li Wenli Hao Guangkuo Xu Yanliang Wang Yanzhen Hong Yuzhong Su Hongtao Wang Shuliang Yang Li Peng Jun Li College of Chemistry and Chemical Engineering Xiamen UniversityXiamen 361005China Department of Chemical Physics University of Science and Technology of ChinaHefei 230026China College of Energy Xiamen UniversityXiamen 361005China National Engineering Laboratory for Green Chemical Productions of Alcohols Ethers and EstersXiamen UniversityXiamen 361005China Collaborative Innovation Center of Chemistry for Energy Materials Xiamen UniversityXiamen 361005China

With the fast generation of electronic waste(e-waste)and the increasing depletion of metal resources,“urban mining”that can selectively recover gold from secondary resources has attracted great *** of materials with high extraction capacity and satisfying selectivity in complex aqueous-based matrices still remains ***,a novel metal-organic framework/polymer composite(Fe-BTC/poly(thioctic acid),denoted as Fe-BTC/pTA)has been newly synthesized and applied for selective gold recovery in different matrices(river water,seawater,and leaching solution of e-waste).Benefiting from the high specific surface area and suitable pore sizes as well as the rational design of active sites,the composite exhibits high adsorption capacity(920 mg/g),high removal efficiency(>99%),fast kinetics(below 0.1 ppb within 10 min),and good applicability in complex matrices,which are better than those of most reported sulfur-containing ***-state metallic gold with high purity can be effectively enriched due to the high recyclability and long-term stability of the *** material after adsorption can be further applied as a heterogeneous catalyst for water remediation due to the in situ generated gold nanoparticles by the redox reaction between Au(III)ions and the S-containing groups in the composites.

关键词： metal-organic frameworks(MOFs) poly(thioctic acid)(pTA) polymer composites gold recovery urban mining

Characteristics and mechanism of Ni^(2+)and Cd^(2+)adsorption by recovered perlite from agar extraction residue

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Chinese Journal of Chemical Engineering 2024年第8期72卷 141-152页

作者： Juan Wang Yanbing Zhu Zedong Jiang Xiping Du Mingjing Zheng Lijun Li Hui Ni Yuanpeng Wang Zhipeng Li Qingbiao Li College of Ocean Food and Biological Engineering Jimei UniversityXiamen 361021China Fujian Provincial Key Laboratory of Food Microbiology and Enzyme Engineering Xiamen 361021China Research Center of Food Biotechnology of xiamen City Xiamen 361021China xiamen Ocean Vocational College Xiamen 361021China College of Chemistry and Chemical Engineering Xiamen UniversityXiamen 361021China

Ni^(2+)and Cd^(2+)in wastewater accumulated through the ecological chain and could jeopardize human *** of Ni^(2+)and Cd^(2+)from wastewater using recovered perlite was an important way to solve the problem of resource utilization of solid waste from agar *** previous study confirmed that recovered perlite from agar extraction residue had better pore size and specific surface area than commercial ***,the adsorption efficiency and adsorption mechanism of recovered perlite were the main factors limiting its adsorption *** adsorption process of Ni^(2+)and Cd^(2+)by recovered perlite in aqueous solution was described by the pseudo-second-order kinetic equation,and the relevant adsorption mechanism was mainly *** with commercial perlite,the adsorption removal rate of Ni^(2+)and Cd^(2+)by enzymatic recovered perlite could reach 92.9%and 89.2%,respectively,and were improved by 12.63%and 13.03%.Langmuir isothermal adsorption model could better describe the isothermal adsorption process of recovered perlite on heavy metal Ni^(2+)and Cd^(2+),and the relevant adsorption mechanism was mainly monolayer *** X-ray photoelectron spectroscopy(XPS)results indicated that the decrease of Si—O Si^(2+)hydroxyl coordination bond and the increase of C—Si bond might make the binding effect of recovered perlite with heavy metals *** competitive adsorption of Ni^(2+)and Cd^(2+)by recovered perlite was still dominated by chemisorption and monolayer *** study was expected to provide a theoretical basis and technical support for the removal of Ni^(2+)and Cd^(2+)from wastewater using recovered perlite from seaweed residue.

关键词： Agar extraction residue Recovered perlite Heavy metal ion Adsorption property