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Localized CdS homojunctions with optimal ratio of high and low index facets to dynamically boost H_(2)O splitting into H_(2)energy

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Journal of Materials Science & Technology 2024年第4期171卷 94-100页

作者： Xiaojun Wang Yiqi zhang Shujuan Jiang Jiakun Su Shaoqing song School of Materials Science&Chemical Engineering Ningbo UniversityNingbo 330013China School of New Energy Ningbo University of TechnologyNingbo 315336China Tchnology Center China Tobacco Jiangxi Industrial LLCNanchang 330096China

Localized CdS homojunctions with optimal ratio of high and low index facets are constructed to dy-namically boost H_(2)O splitting into H_(2)energy by hydrothermal method in combination with *** density functional theory,hall effect,and in situ diffuse reflectance infrared Fourier transform spec-troscopy,it is revealed that photo-irradiated e^(−)and h^(+)can be spatially separated and directionally trans-ferred to the reductive high-index facet{002}and oxidative low-index facet{110}of localized CdS homo-junction induced by Fermi level difference of both high and low index facets to dehydrogenate ^(∗)-OH and coupled ^(∗)-O intermediates for H_(2)and O_(2)yield,respectively,along with a solar conversion into hydrogen of 1.93%by AM 1.5 G irradiation at 65℃.The study work suggests a scientific perspective on the optimal ratio of high and low index facets to understand photo-generated charge carrier transfer dynamically and their photocatalytic principle for H_(2)O splitting reaction in kinetics.

关键词： Photocatalytic H_(2)evolution Homojunction Localized field Ratio of high low index facets In-situ DRIFTS

High-throughput calculation-based rational design of Fe-doped MoS_(2) nanosheets for electrocatalytic p H-universal overall water splitting

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Journal of Energy Chemistry 2024年第4期91卷 194-202页

作者： Guangtong hai Xiangdong Xue Zhenyu Wu Canyang zhang Xin Liu Xiubing Huang Institute of Zhejiang University-Quzhou Zhejiang UniversityQuzhou 324000ZhejiangChina Beijing Key Laboratory of Membrane Materials and Engineering Department of Chemical EngineeringTsinghua UniversityBeijing 100084China Beijing Advanced Innovation Center for Materials Genome Engineering Beijing Key Laboratory of Function Materials for Molecule&Structure ConstructionSchool of Materials Science and EngineeringUniversity of Science and TechnologyBeijing 100083China CentreÉnergie Matériaux et Télécommunications(EMT) Institut national de la recherche scientifique(INRS)Varennes J3X1P7QuébecCanada

Electrocatalytic water splitting is crucial for H2generation via hydrogen evolution reaction(HER)but subject to the sluggish dynamics of oxygen evolution reaction(OER).In this work,single Fe atomdoped MoS_(2)nanosheets(SFe-DMNs)were prepared based on the high-throughput density functional theory(DFT)calculation *** to the synergistic effect between Fe atom and MoS_(2)and optimized intermediate binding energy,the SFe-DMNs could deliver outstanding activity for both HER and *** assembled into a two-electrode electrolytic cell,the SFe-DMNs could achieve the current density of 50 mA cm^(-2)at a low cell voltage of 1.55 V under neutral *** results not only confirmed the effectiveness of high-throughput screening,but also revealed the excellent activity and thus the potential applications in fuel cells of SFe-DMNs.

关键词： High-throughput calculation Overall water splitting Single atom doped catalyst Molybdenum disulfide nanosheet

Network Pharmacology of Xian-Lian-Jie-Du Decoction in Ameliorating Colorectal Cancer

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World Journal of Traditional Chinese Medicine 2024年第1期10卷 83-92页

作者： Ming-Xia Zhao Cheng-Lin song Qin-Chang zhang Hao-Jie Du Shu-Qiong zhang Yu-Xian Shen Yang Sun hai-Bo Cheng Wen Lv Department of Pharmacy School of Basic Medical SciencesAnhui Medical UniversityHefeiAnhuiChina Department of Biopharmaceutical Research Institute Anhui Medical UniversityHefeiAnhuiChina Department of Pharmaceutical Analysis State Key Laboratory of Natural and Biomimetic DrugsSchool of Pharmaceutical SciencesPeking UniversityBeijingChina Jiangsu Collaborative Innovation Center of Traditional Chinese Medicine in Prevention and Treatment of Tumor First Clinical CollegeNanjing University of Chinese MedicineNanjingJiangsuChina Deparment of Biotechnology and Pharmaceutical Sciences State Key Laboratory of Pharmaceutical BiotechnologySchool of Life SciencesNanjing UniversityNanjingJiangsuChina Deparment of Gynecology Institute of Traditional Chinese Medicine of Zhejiang ProvinceTongde Hospital of Zhejiang ProvinceHangzhouZhejiangChina

Objective:In this study,we screened for therapeutic targets of the Xian-Lian-Jie-Du decoction(XLJDD)for colorectal cancer(CRC)and explored the underlying mechanisms using network pharmacology ***:Genes associated with CRC were collected from the Gene Cards *** names of the active compounds of XLJDD were used as keywords in the“chemical name”in the Traditional Chinese Medicine Systems Pharmacology(TCMSP)database to search the *** protein-protein interaction(PPI)network was constructed using Cytoscape *** Ontology functional enrichment and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analyses were performed to identify key target ***:A total of 234 XLJDD-related targets and 250 cross-targets between XLJDD and CRC were collected based on the TCMSP and HIT 2.0 databases.A PPI network constructed based on the STRING database revealed interactions for all 250 *** network results revealed TP53,MYC,CCND1,AKT1,CASP3,and STAT3 as core potential *** pathway analysis of the 250 potential XLJDD targets for CRC in the Metascape database was performed using RStudio *** top 12 gene ratio aggregated analysis results were visualized in bubble *** interleukin(IL)-17 signaling pathway had the highest correlation with the tumor necrosis factor(TNF)signaling ***:XLJDD may be effective in ameliorating CRC by controlling inflammatory factors related to the IL-17 and TNF pathways and targeting proto-oncogenes and tumor suppressor genes,including MYC,CCND1,CTNNB1,and TP53.

关键词： Colorectal cancer network pharmacology Xian-Lian-Jie-Du decoction

Kinetics and mechanism of propylene hydro-oxidation to acrolein on Au catalysts

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Nano Research 2024年第1期17卷 354-363页

作者： Wei Du Zhihua zhang Nan song Xuezhi Duan Xinggui Zhou State Key Laboratory of Chemical Engineering School of Chemical EngineeringEast China University of Science and TechnologyShanghai 200237China

Propylene epoxidation by H_(2)and O_(2)to propylene oxide(PO)over the Au-Ti bifunctional catalysts,as an ideal reaction for PO production,has attracted great *** the mechanism of acrolein formation is of great importance for understanding the mechanism of molecular oxygen activation and the formation of hydroperoxo species on the Au ***,we investigate the reaction mechanism of propylene oxidation to acrolein on the Au/uncalcined TS-1(Au/TS-1-B)catalyst through a combination of multiple characterization,H_(2)/D_(2)exchange,kinetics experiment,and *** Ti sites are found to be non-essential to acrolein ***,the acrolein formation on the Au/TS-1-B catalyst is confirmed to be promoted by H_(2)through hydroperoxo species formation,which includes two main steps:propylene dehydrogenation to*C_(3)H_(5)with the aid of*OOH species,and*C_(3)H_(5)oxidation by*OOH to *** latter step is determined to be the rate-determining step because the corresponding kinetics model gives the best description for experimental *** work not only provides kinetics insights for the propylene hydro-oxidation to acrolein on the Au-Ti bifunctional catalysts,but also facilitates the rational design of Au catalysts with high activity and selectivity in the direct propylene epoxidation with H_(2)and O_(2).

关键词： kinetics mechanism gold acrolein hydro-oxidation

Effect of operational and geometric parameters on the hydrodynamics of a Wurster coater:A CFD-DEM study

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Particuology 2024年第2期85卷 62-76页

作者： Yinqiang song Tuo Zhou Ruiqi Bai Man zhang hairui Yang Department of Energy and Power Engineering Tsinghua UniversityBeijing100084China Key Laboratory for Thermal Science and Power Engineering of Ministry of Education Tsinghua UniversityBeijing100084China State Key Laboratory of Power System and Generation Equipment Tsinghua UniversityBeijing100084China

A coupled CFD-DEM method was used to study the hydrodynamics of a Wurster ***,the CFD part of the model was validated by the accurate prediction of the pressure drops over a pseudo-2D fluidized bed under various gas *** effect of gas velocity,gap height,tube length and batch volume of the particles on the cycle time and the residence time of the particles was thoroughly *** central jet gas velocity ui was found to speed up the particle cycle but undermine the coating *** gas velocity at the horizontal transport zone u2 was able to promote the horizontal transport of the particles but should not be too high,otherwise,it would obstruct the normal falling back of the particles in the downward *** gap heights would decrease the coating efficiency but tube length had little impact on *** increment of batch volume would commonly abase the cycle time and the working efficiency under a given *** de-fluidization problem arose when the batch volume increased to 550 ***,this problem could be swept out by the optimization of u1 and *** a mixture of different sizes,the coarse particles enjoyed higher coating efficiency and could travel closer to the *** may shield the fine particles from getting enough coating liquids,and thus coarse particles and fine particles were not recommended to get coated in the same batch.

关键词： Numerical simulation CFD-DEM Wurster coater Hydrodynamics Cycle time Residence time

Salinity effect-induced ENSO amplitude modulation in association with the interdecadal Pacific Oscillation

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Journal of Oceanology and Limnology 2024年第4期42卷 1019-1036页

作者： hai ZHI Xiaokun WANG Rong-Hua zhang Pengfei LIN Jifeng QI College of Atmospheric Sciences Nanjing University of Information Science and TechnologyNanjing 210044China School of Marine Sciences Nanjing University of Information Science and TechnologyNanjing 210044China Laoshan Laboratory Qingdao 266237China State Key Laboratory of Numerical Modeling for Atmospheric Sciences and Geophysical Fluid Dynamics(LASG) Institute of Atmospheric Physics(IAP)Chinese Academy of SciencesBeijing 100029China Key Laboratory of Ocean Circulation and Waves Institute of Oceanologyand Center for Ocean Mega-ScienceChinese Academy of SciencesQingdao 266071China

A 110-year ensemble simulation of an ocean general circulation model(OGCM)was analyzed to identify the modulation of salinity interdecadal variability on El Niño-Southern Oscillation(ENSO)amplitude in the tropical Pacific during *** simulating results show that sea surface salinity(SSS)variation in the region exhibits notable and coherent interdecadal variability signal,which is closely associated with the Interdecadal Pacific Oscillation(IPO).As salinity increases or reduces,the SSS modulations on ENSO amplitude during its warm/cold events vary asymmetrically with positive/negative IPO ***,salinity interdecadal variability can enhance or reduce ENSO-related conditions in upper-ocean stratification,contributing noticeably to ENSO *** anomalies associated with the mixed layer depth and barrier layer thickness can modulate ENSO amplitude during positive and negative IPO phases,resulting in the asymmetry of sea surface temperature(SST)anomaly in the tropical *** positive IPO phases,SSS interdecadal variability contributes positively to El Niño amplitude but negatively to La Niña amplitude by enhancing or reducing SSS interannual variability,and vice versa during negative IPO ***,the results indicate that the modulation of the ENSO amplitude by the SSS interdecadal variability is 15%-28%during negative IPO phases and 30%-20%during positive IPO phases,***,the SSS interdecadal variability associated with IPO and its modulation on ENSO amplitude in the tropical Pacific are among factors essentially contributing ENSO diversity.

关键词： El Niño-Southern Oscillation(ENSO)amplitude Interdecadal Pacific Oscillation(IPO) ocean salinity variability tropical Pacific upper-ocean stratification

Transverse mode-coupling instability with longitudinal impedance

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Nuclear Science and Techniques 2024年第6期35卷 40-53页

作者： hai-Sheng Xu Chun-Tao Lin Na Wang Jing-Ye Xu Yuan zhang Key Laboratory of Particle Acceleration Physics and Technology Institute of High Energy PhysicsChinese Academy of SciencesBeijing 100049China University of Chinese Academy of Sciences Beijing 100049China Institute of Advanced Science Facilities Shenzhen 518107GuangdongChina

Transverse mode-coupling instability(TMCI)is a dangerous transverse single-bunch instability that can lead to severe par-ticle *** mechanism of TMCI can be explained by the coupling of transverse coherent oscillation modes owing to the transverse short-range wakefield(i.e.,the transverse broadband impedance).Recent studies on future circular colliders,e.g.,FCC-ee,showed that the threshold of TMCI decreased significantly when both longitudinal and transverse impedances were *** performed computations for the circular electron-positron collider(CEPC)and observed a similar *** studies on the influence of longitudinal impedance on the TMCI threshold were *** concluded that the imaginary part of the longitudinal impedance,which caused a reduction in the incoherent synchrotron tune,was the primary reason for the reduction in the TMCI ***,the real part of the longitudinal impedance assists in increasing the TMCI threshold.

关键词： Transverse mode-coupling instability Longitudinal impedance

Visualization of MF/Diesel RCCI Combustion Process and Soot Emission

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Journal of Thermal Science 2024年第2期33卷 779-792页

作者： HUANG Chen NI Xiao GE Dameng LI song zhang Wanzhi LIU Jinping zhang Tingting School of Mechanical and Electronic Engineering Shandong Agricultural UniversityTaian271018China Shandong Provincial Engineering Laboratory of Agricultural Equipment Intelligence Taian271018China Taian Technician Institute Taian271000China Sinotruk Taian Wuyue Special Vehicle Co. Ltd.Taian271000China School of Mechanical Engineering Shaanxi University of TechnologyHanzhong723001China School of Mechanical Engineering Anyang Institute of TechnologyAnyang455000China

Based on the optical engine,the ignition characteristics,combustion process and soot emission characteristics of diesel under different 2-Methylfuran(MF) atmospheres were investigated by high-speed photography and in-cylinder combustion analysis *** results show that at the same main injection timing,the ignition time of reactivity controlled compression ignition(RCCI) combustion mode is earlier than pure diesel combustion,and the ignition point is concentrated near the *** acts as a spark plug to ignite the mixture,but the flame develops slowly in the early stages and the pressure in the cylinder rises *** with pure diesel,RCCI combustion model has smaller peak values of in-cylinder pressure and heat release rate,shorter ignition delay period,earlier combustion phase and shorter combustion *** main spray time at 6℃A BTDC and 12℃A BTDC,with the increase of MF premixing ratio from 0 to 0.75,the peak cylinder pressure decreased by 19.6% and 26% *** addition,with the increase of the MF heat value ratio,the area of KL factor> 1.5 in the combustion chamber decreased and the space integral natural luminescence(SINL) peak value decreased by 48.37%,and the soot formation rate and yield decreased ***,when the MF heat value ratio was too large(75% of the total calorific value),the ignition delay period increased,and misfire occurred at the main injection timing of 0℃A *** RCCI mode of MF/diesel dual fuel has better stability,and better control effect can be obtained at different main inj ection timing.

关键词： 2-methylfuran RCCI visualization two-color method KL factor

Dual template-induced construction of three-dimensional porous SiO2/NC/Co-CNTs heterostructure with highly dispersed active sites for efficient oxygen evolution reaction

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Tungsten 2024年第3期6卷 585-595页

作者： hai-Qi zhang Xiao-Jun Zeng Qing-Qing zhang Zu-Liang zhang Chu-Long Jin Rong-hai Yu School of Materials Science and Engineering Jingdezhen Ceramic University School of Materials Science and Engineering Beihang University

The development and exploration of efficient and economical electrocatalysts for oxygen evolution reaction（OER） represents the main bottleneck to unlocking a sustainable energy scenario based on elec trocataly tic water *** scale integration of three-dimensional（3D） porous heterostructure with highly dispersed active sites and good structural stability is ***,a dual template route is developed to construct the 3D porous SiO2/nitrogen-doped carbon（NC）/Co-carbon nano tubes（CNTs） hetero ***,the hard template（SiO2nano spheres） contributes to 3D porous structure,increases the specific surface area,and promotes the contact area of the *** the same time,the soft template（basic zinc carbonate） can control the growth of 1D CNTs and facilitate the exposure of the active ***,3D porous SiO2/NC/Co-CNTs hetero structure inherits highly dispersed Co nanoparticles coated by *** conductive channels and abundant N hetero atoms doping are reasonably constructed by a dual template ***,SiO2/NC/Co-CNTs catalyst provides an extraordinary activity for the OER in alkaline media,with a low overpotential of 298 mV at a current density of 10 mA·***,SiO2/NC/Co-CNTs hetero structure enables excellent long-term durability with a 10 mV decay in overpotential after 3000 cyclic voltammetry cycles,and 97% remain in current density over 20 *** is believed that this dual template strategy can provide a new and simple way to construct a highly dispersed active site in electrocatalysts.

关键词： Dual template High dispersion Porous heterostructure Conductive channels Oxygen evolution reaction