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Visible light-driven oxidation of non-native substrate by laccase attached on Ru-based metal-organic frameworks

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Journal of Environmental Sciences 2024年第3期137卷 741-753页

作者： Wenguang Huang wentao Zhang Guantongyi Chen Yun Chen Jun ma Dawei Huang Qinzheng Zhaoc Bingdang Wu State Environmental Protection Key Laboratory of Environmental Pollution Health Risk Assessment South China Institute of Environmental SciencesMinistry of Ecology and Environment of PRCGuangzhou 510655China Tsinghua Shenzhen International Graduate School Tsinghua UniversityShenzhen 518055China School of Environmental Science and Engineering Suzhou University of Science and TechnologySuzhou 215002China Key Laboratory of Suzhou Sponge City Technology Suzhou 215002China

Light-induced electron transfer can broaden the substrate range of metalloenzyme.However,the efficiency of photo-enzyme coupling is limited by the poor combination of photosensitizer or photocatalyst with enzyme.Herein,we prepared the nano-photocatalyst MIL-125-NH_(2)@Ru(bpy)by in site embedding ruthenium pyridine-diimine complex[Ru(bpy)_(3)^(2+)into metal organic frameworks MIL-125-NH_(2)and associated it with multicopper oxidase(MCO)laccase.Compared to[Ru(bpy)_(3)]^(2+),the coupling efficiency of MIL-125-NH_(2)@Ru(bpy)_(3)for enzymatic oxygen reduction increased by 35.7%.A series of characterizations confirmed that the amino group of laccase formed chemical bonds with the surface defects or hydrophobic groups of MIL-125-NH_(2)@Ru(bpy)_(3).Consequently,the tight binding accelerated the quenching process and electron transfer between laccase and the immobilized ruthenium pyridine-diimine complex.This work would open an avenue for the synthesis of MOFs photocatalyst towards photo-enzyme coupling.

关键词： Laccase Light-driven biocatalysis Ruthenium photocatalyst Metal-organic frameworks Enzyme immobilization

Application of deep learning for informatics aided design of electrode materials in metal-ion batteries

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Green Energy & Environment 2024年第5期9卷 877-889页

作者： Bin ma Lisheng Zhang wentao Wang Hanqing Yu Xianbin Yang Siyan Chen Huizhi Wang Xinhua Liu School of Transportation Science and Engineering Beihang UniversityBeijing102206China College of Automotive Engineering Jilin UniversityChangchun130022China Department of Mechanical Engineering Imperial College LondonLondonSW72BXUK

To develop emerging electrode materials and improve the performances of batteries,the machine learning techniques can provide insights to discover,design and develop battery new materials in high-throughput way.In this paper,two deep learning models are developed and trained with two feature groups extracted from the materials Project datasets to predict the battery electrochemical performances including average voltage,speciﬁc capacity and speciﬁc energy.The deep learning models are trained with the multilayer perceptron as the core.The Bayesian optimization and Monte Carlo methods are applied to improve the prediction accuracy of models.Based on 10 types of ion batteries,the correlation coefﬁcients are maintained above 0.9 compared to DFT calculation results and the mean absolute error of the prediction results for voltages of two models can reach 0.41 V and 0.20 V,respectively.The electrochemical performance prediction times for the two trained models on thousands of batteries are only 72.9 ms and 75.7 ms.Besides,the two deep learning models are applied to approach the screening of emerging electrode materials for sodium-ion and potassium-ion batteries.This work can contribute to a high-throughput computational method to accelerate the rational and fast materials discovery and design.

关键词： Cathode materials material design Electrochemical performance prediction Deep learning Metal-ion batteries

Vacancy defect MoSeTe embedded in N and F co-doped carbon skeleton for high performance sodium ion batteries and hybrid capacitors

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Journal of Energy Chemistry 2024年第3期90卷 652-664,I0014页

作者： Dehui Yang wentao Guo Fei Guo Jiaming Zhu Gang Wang Hui Wang Guanghui Yuan Shenghua ma Beibei Wang State Key Laboratory of Photon-Technology in Western China Energy International Collaborative Center on Photoelectric Technology and Nano Functional MaterialsInstitute of Photonics&Photon-TechnologyNorthwest UniversityXi’an 710127ShannxiChina Key Laboratory of Synthetic and Natural Functional Molecule Chemistry(Ministry of Education) College of Chemistry&Materials ScienceNorthwest UniversityXi’an 710127ShannxiChina School of Chemistry and Chemical Engineering Ankang Research Centre of New Nano-materials Science and TechnologyShaanxi University Innovation Research Institute of Advanced Energy Storage Materials and Battery Technology for Future IndustrializationAnkang UniversityAnkang 725000ShannxiChina

Sodium-ion batteries(SIBs) and hybrid capacitors(SIHCs) have garnered significant attention in energy storage due to their inherent advantages,including high energy density,cost-effectiveness,and enhanced safety.However,developing high-performance anode materials to improve sodium storage performa nce still remains a major challenge.Here,a facile one-pot method has been developed to fabricate a hybrid of MoSeTe nanosheets implanted within the N,F co-doped honeycomb carbon skeleton(MoSeTe/N,F@C).Experimental results demonstrate that the incorporation of large-sized Te atoms into MoSeTe nanosheets enlarges the layer spacing and creates abundant anion vacancies,which effectively facilitate the insertion/extraction of Na^(+) and provide numerous ion adsorption sites for rapid surface capacitive behavior.Additionally,the heteroatoms N,F co-doped honeycomb carbon skeleton with a highly conductive network can restrain the volume expansion and boost reaction kinetics within the electrode.As anticipated,the MoSeTe/N,F@C anode exhibits high reversible capacities along with exceptional cycle stability.When coupled with Na_(3)V_(2)(PO_(4))_(3)@C(NVPF@C) to form SIB full cells,the anode delivers a reversible specific capacity of 126 ma h g^(-1) after 100 cycles at 0.1 A g^(-1).Furthermore,when combined with AC to form SIHC full cells,the anode demonstrates excellent cycling stability with a reversible specific capacity of50 ma h g^(-1) keeping over 3700 cycles at 1.0 A g^(-1).In situ XRD,ex situ TEM characterization,and theoretical calculations(DFT) further confirm the reversibility of sodium storage in MoSeTe/N,F@C anode materials during electrochemical reactions,highlighting their potential for widespread practical application.This work provides new insights into the promising utilization of advanced transition metal dichalcogenides as anode materials for Na^(+)-based energy storage devices.

关键词： MoSeTe N F co-doped honeycomb carbon skeleton Sodium-ion batteries Sodium-ion hybrid capacitor

Robust state of charge estimation of lithium-ion battery via mixture kernel mean p-power error loss LSTM with heap-based-optimizer

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Journal of Energy Chemistry 2023年第5期80卷 768-784,I0016页

作者： wentao ma Yiming Lei Xiaofei Wang Badong Chen School of Electrical Engineering Xi'an University of TechnologyXi’an 710048ShaanxiChina School of Microelectronics Xi'an Jiaotong UniversityXi’an 710049ShaanxiChina Institute of Artificial Intelligence and Robotics(IAIR) Xi'an Jiaotong UniversityXi’an 710049ShaanxiChina

The state of charge(SOC)estimation of lithium-ion battery is an important function in the battery management system(BMS)of electric vehicles.The long short term memory(LSTM)model can be employed for SOC estimation,which is capable of estimating the future changing states of a nonlinear system.Since the BMS usually works under complicated operating conditions,i.e the real measurement data used for model training may be corrupted by non-Gaussian noise,and thus the performance of the original LSTM with the mean square error(MSE)loss may deteriorate.Therefore,a novel LSTM with mixture kernel mean p-power error(MKMPE)loss,called MKMPE-LSTM,is developed by using the MKMPE loss to replace the MSE as the learning criterion in LSTM framework,which can achieve robust SOC estimation under the measurement data contaminated with non-Gaussian noises(or outliers)because of the MKMPE containing the p-order moments of the error distribution.In addition,a meta-heuristic algorithm,called heap-based-optimizer(HBO),is employed to optimize the hyper-parameters(mainly including learning rate,number of hidden layer neuron and value of p in MKMPE)of the proposed MKMPE-LSTM model to further improve its flexibility and generalization performance,and a novel hybrid model(HBO-MKMPE-LSTM)is established for SOC estimation under non-Gaussian noise cases.Finally,several tests are performed under various cases through a benchmark to evaluate the performance of the proposed HBO-MKMPE-LSTM model,and the results demonstrate that the proposed hybrid method can provide a good robustness and accuracy under different non-Gaussian measurement noises,and the SOC estimation results in terms of mean square error(MSE),root MSE(RMSE),mean absolute relative error(maRE),and determination coefficient R2are less than 0.05%,3%,3%,and above 99.8%at 25℃,respectively.

关键词： SOC estimation Long short term memory model Mixture kernel mean p-power error Heap-based-optimizer Lithium-ion battery Non-Gaussian noisy measurement data

Production of dissolved organic carbon in the South China Sea:A modeling study

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Science China Earth Sciences 2022年第2期65卷 351-364页

作者： wentao ma Peng XIU Yi YU Yiling ZHENG Fei CHAI State Key Laboratory of Satellite Ocean Environment Dynamics Second Institute of OceanographyMinistry of Natural ResourcesHangzhou 310012China Southern marine Science and Engineering Guangdong Laboratory(Zhuhai) Zhuhai 519080China Southern marine Science and Engineering Guangdong Laboratory(Guangzhou) Guangzhou 511458China State Key Laboratory of Tropical Oceanography South China Sea Institute of OceanologyChinese Academy of SciencesGuangzhou 510301China School of marine Sciences University of MaineOrono 04469MaineUSA

The South China Sea(SCS)is the largest semi-enclosed marginal sea in the western Pacific.The alternation of East Asian monsoon causes a significant seasonal pattern of chlorophyll,primary productivity,and export flux of sinking particles.However,the source and sink of dissolved organic carbon(DOC)pools with different bioavailability are less studied.Here we evaluated the seasonal production of DOC in labile,semi-labile and refractory forms using a coupled physical-biogeochemical model.This study aims to understand the dynamics and budgets of organic matters in the SCS.Model results show that the production of labile,semi-labile and refractory DOC is highly correlated with the net primary productivity(NPP)which is higher in winter and lower in summer,reflecting a dependence of DOC on the NPP.The seasonal variation in Pearl River discharge dominates the DOC production in the northern coastal region.In the northeast,the Kuroshio intrusion associated frontal system is attributed to cause high winter production.The DOC production in the southwest is controlled by both winter mixing and summer upwelling.The production of refractory DOC with the least bioavailability favors carbon sequestration.Its annual mean production is 1.8±0.5 mg C m^(−2) d^(−1),equivalent to 26%of the export flux of particulate organic carbon at 1000 m.

关键词： Dissolved organic carbon Microbial carbon pump South China Sea Biogeochemical model ROMS CoSiNE

Snap-through path in a bistable dielectric elastomer actuator

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Applied mathematics and Mechanics(English Edition) 2022年第8期43卷 1159-1170页

作者： Wenjie SUN wentao ma Fei ZHANG Wei HONG Bo LI School of Mechanical and Precision Instrument Engineering Xi’an University of TechnologyXi’an710048China State Key Laboratory for Strength and Vibration of Mechanical Structures and School of Aerospace Xi’an Jiaotong UniversityXi’an710049China State Key Laboratory for manufacturing System Engineering Shaanxi Key Lab for Intelligent RobotsSchool of Mechanical EngineeringXi’an Jiaotong UniversityXi’an710049China Department of Mechanics and Aerospace Engineering Southern University of Science and TechnologyShenzhenGuangdong Province518055China

The dielectric elastomer(DE)has attracted significant attention due to its desired features,including large deformation,fast response,and high energy density.However,for a DE actuator(DEA)utilizing a snap-through deformation mode,most existing theoretical models fail to predict its deformation path.This paper develops a new finite element method(FEM)based on the three-parameter Gent-Gent model suitable for capturing strain-stiffening behaviors.The simulation results are verified by experiments,indicating that the FEM can accurately characterize the snap-through path of a DE.The method proposed in this paper provides theoretical guidance and inspiration for designing and applying DEs and bistable electroactive actuators.

关键词： dielectric elastomer actuator(DEA) snap-through bistable finite element method(FEM) strain-stiffening behavior

Primordial black hole mass functions as a probe of cosmic origin

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Science China(Physics,Mechanics & Astronomy) 2024年第5期67卷 164-171页

作者： Yi-Fu Cai Chengfeng Tang Geyu Mo Sheng-Feng Yan Chao Chen Xiao-Han ma Bo Wang wentao Luo Damien A.Easson Antonino marcianò Deep Space Exploration Laboratory/School of Physical Sciences University of Science and Technology of ChinaHefei 230026China CAS Key Laboratory for Researches in Galaxies and Cosmology/Department of Astronomy School of Astronomy and Space ScienceUniversity of Science and Technology of ChinaHefei 230026China Istituto Nazionale di Fisica Nucleare(INFN) Sezione di MilanoMilano 20146Italy DiSAT Universitàdegli Studi dell'InsubriaComo 22100Italy Jockey Club Institute for Advanced Study The Hong Kong University of Science and TechnologyHong KongChina Department of Physics Arizona State UniversityTempe 85287-1504USA Department of Physics&Center for Field Theory and Particle Physics Fudan UniversityShanghai 200433China Laboratori Nazionali di Frascati INFN Via Enrico Fermi 541 Frascati(Roma)00044Italy INFN sezione Roma Tor Vergata Rome I-00133Italy School of Physics University of Electronic Science and Technology of ChinaChengdu11731China

We discuss a novel window to probe the origin of our universe via the mass functions of primordial black holes(PBHs).The mass functions of PBHs are simply estimated using the conventional Press-Schechter formalism for two paradigms of cosmic origin,including inflationaryΛCDM and bounce cosmology.The standard inflationaryΛCDM model cannot generate an appreciable number of massive PBHs;however,non-trivial inflation models with blue-tilted power spectra at small scales and matter bounce cosmology provide formation mechanisms for heavy PBHs,which in turn,may seed the observed supermassive black holes(SMBHs).By fitting the SMBH mass functions at high redshift(z~6)derived from Sloan Digital Sky Survey(SDSS)and Canada-France High-z Quasar Survey(CFHQS)quasars,for two paradigms of cosmic origin,we derive constraints on the PBH density fraction fPBHat z~6 and the characteristic mass M_(★),with the prior assumption that all SMBHs stem from PBHs.We demonstrate that this newly proposed procedure,relying on astronomical measurements that utilize deep-field surveys of SMBHs at high redshift,can be used to constrain models of cosmic origin.Additionally,although not the main focus of this paper,we evolve the mass function from z~6 to z~0 through an assumption of 3×10^(8)-year Eddington’s accretion,and give a rough estimation of fPBHat z~0.

关键词： origin cosmic massive

Vacancy healing for stable perovskite solar cells via bifunctional potassium tartrate

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Journal of Energy Chemistry 2024年第1期88卷 64-70,I0002页

作者： Jing Dou Yue ma Xiuxiu Niu wentao Zhou Xueyuan Wei Jie Dou Zhenhua Cui Qizhen Song Tinglu Song Huanping Zhou Cheng Zhu Yang Bai Qi Chen Experimental Centre for Advanced materials School of Materials Science and EngineeringBeijing Institute of TechnologyBeijing 100081China Beijing Key Laboratory for Theory and Technology of Advanced Battery materials Key Laboratory of Polymer Chemistry and Physics of Ministry of EducationBIC-ESATSchool of Materials Science and EngineeringPeking UniversityBeijing 100871China

Perovskite solar cell has gained widespread attention as a promising technology for renewable energy.However, their commercial viability has been hampered by their long-term stability and potential Pb leakage. Herein, we demonstrate a bifunctional passivator of the potassium tartrate(PT) to address both challenges. PT minimizes the Pb leakage in perovskites and also heals cationic vacancy defects, resulting in improved device performance and stability. Benefiting from PT modification, the power conversion efficiency(PCE) is improved to 23.26% and the Pb leakage in unencapsulated films is significantly reduced to 9.79 ppm. Furthermore, the corresponding device exhibits no significant decay in PCE after tracking at the maximum power point(MPP) for 2000 h under illumination(LED source, 100 mW cm^(-2)).

关键词： Perovskite Potassium tartrate Lead leakage Long-term stability

Recent progress in ternary mixed matrix membranes for CO_(2) separation

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Green Energy & Environment 2024年第5期9卷 831-858页

作者： Zikang Qin Yulei ma Jing Wei Hongfang Guo Bangda Wang Jing Deng Chunhai Yi Nanwen Li Shouliang Yi Yi Deng wentao Du Jian Shen Wenju Jiang Lu Yao Lin Yang Zhongde Dai College of Architecture and Environment Sichuan UniversityChengdu610065China College of Carbon Neutrality Future Technology Sichuan UniversityChengdu610065China National Engineering Research Centre for Flue Gas Desulfurization Chengdu610065China Carbon Neutral Technology Innovation Center of Sichuan Chengdu610065China School of Chemical Biological and Materials EngineeringUniversity of OklahomaNormanOK73019USA Shaanxi Key Laboratory of Energy Chemical Process Intensification School of Chemical Engineering and TechnologyXi'an Jiaotong UniversityXi'an710049China State Key Laboratory of Coal Conversion Institute of Coal ChemistryChinese Academy of SciencesTaiyuan030001China US DOE Natl Energy Technol Lab626 Cochrans Mill RdPittsburghPA 15236USA DongFang Boiler Co. Ltd.China Clean Combustion and Flue Gas Purification Key Laboratory of Sichuan Province Chengdu611731China College of Environment and Resources Xiangtan UniversityXiangtan411105China

Mixed matrix membranes(MMMs)could combine the advantages of both polymeric membranes and porousﬁllers,making them an effective alternative to conventional polymer membranes.However,interfacial incompatibility issues,such as the presence of interfacial voids,hardening of polymer chains,and blockage of micropores by polymers between common MMMsﬁllers and the polymer matrix,currently limit the gas sep-aration performance of MMMs.Ternary phase MMMs(consisting of aﬁller,an additive,and a matrix)made by adding a third compound,usually functionalized additives,can overcome the structural problems of binary phase MMMs and positively impact membrane separation performance.This review introduces the structure and fabrication processes for ternary MMMs,categorizes various nanoﬁllers and the third component,and summarizes and analyzes in detail the CO_(2) separation performance of newly developed ternary MMMs based on both rubbery and glassy polymers.Based on this separation data,the challenges of ternary MMMs are also discussed.Finally,future directions for ternary MMMs are proposed.

关键词： CO_(2) separation Mixed matrix membranes Ternary phase