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Composition Engineering Opens an Avenue Toward Efficient and Sustainable Nitrogen Fixation

Energy & Environmental Materials 2024年第1期7卷 313-325页

作者： Xiaolin wang Liming yang Key Laboratory of Material Chemistry for Energy Conversion and Storage Ministry of EducationWuhan 430074China Hubei Key Laboratory of Materials Chemistry and Service Failure Wuhan 430074China Hubei Key Laboratory of Bioinorganic Chemistry and Materia Medica Wuhan 430074China Hubei Engineering Research Center for Biomaterials and Medical Protective Materials Wuhan 430074China School of Chemistry and Chemical Engineering Huazhong University of Science and TechnologyWuhan 430074China

In this work,we open an avenue toward rational design of potential efficient catalysts for sustainable ammonia synthesis through composition engineering strategy by exploiting the synergistic effects among the active sites as exemplified by diatomic metals anchored graphdiyne via the combination of hierarchical high-throughput screening,first-principles calculations,and molecular dynamics *** 43 highly efficient catalysts feature ultralow onset potentials(|U_(onset)|≤0.40 V)with Rh-Hf and Rh-Ta showing negligible onset potentials of 0 and-0.04 V,*** high catalytic activities of Rh-Hf and Rh-Ta can be ascribed to the synergistic *** forming heteronuclears,the combinations of relatively weak(such as Rh)and relatively strong(such as Hf or Ta)components usually lead to the optimal strengths of adsorption Gibbs free energies of reaction *** origin can be ascribed to the mediate d-band centers of Rh-Hf and Rh-Ta,which lead to the optimal adsorption strengths of intermediates,thereby bringing the high catalytic *** work provides a new and general strategy toward the architecture of highly efficient catalysts not only for electrocatalytic nitrogen reduction reaction(eNRR)but also for other important *** expect that our work will boost both experimental and theoretical efforts in this direction.

关键词： composition engineering strategy diatomic catalysts electrocatalytic nitrogen reduction reaction first-principles calculations graphdiyne hierarchical high-throughput screening synergistic effects

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Heterointerface engineering of assembled CoP_(2) on N-modified carbon as efficient trifunctional electrocatalysts for Zn-Air batteries and overall water splitting

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Nano Research 2024年第5期17卷 3801-3809页

作者： Yan Chen Zhenrui yang Juan wang Yun yang Xuedong He yang wang Jiadong Chen Yaqing Guo Xin wang Shun wang Huile Jin Wenzhou Key Lab of Advanced Energy Storage and Conversion Zhejiang Province Key Lab of Leather EngineeringCollege of Chemistry and Materials EngineeringWenzhou UniversityWenzhou 325035China Zhejiang Engineering Research Center for Electrochemical Energy Materials and devices Institute of New Materials and Industrial TechnologiesWenzhou UniversityWenzhou 325035China School of Chemical and Biomedical Engineering Nanyang Technological UniversitySingapore 637459Singapore

Enhancing catalytic activity through modulating the interaction between N-doped carbon and metal phosphides clusters is an effective ***,the electronic structure modulation of CoP_(2) supported N-modified carbon(CoP_(2)/NC)has been designed and prepared as efficient electrocatalysts for oxygen reduction reaction(ORR),oxygen evolution reaction(OER),and hydrogen evolution reaction(HER).Notably,CoP_(2)/NC-1 catalyst exhibits impressive performance in alkaline media,with an ORR half-wave potential of 0.84 V,as well as OER and HER overpotentials of 290 and 129 mV(at 10 mA·cm^(−2)),*** addition,CoP_(2)/NC-1 produces a power density as high as 172.9 mW·cm^(−2),and excellent reversibility of 100 h at 20 mA·cm^(−2) in home-made Zn-air *** experimental results demonstrate that the synergistic interactions between N modified carbon substrate and CoP_(2) material significantly enhance the kinetics of ORR,OER,and *** functional theory(dFT)calculations reveal the strong electrons redistribution of CoP_(2) induced by high-density N atoms at the interface,thus optimizing the key intermediates and significantly lower the energy barrier of *** electronic adjustments of CoP_(2) greatly enhance its kinetics of ORR/OER/HER,leading to faster *** study provides profound insights into the specific modification of CoP_(2) by N-doped carbon,enabling the construction of efficient catalysts.

关键词： two-dimensional(2d)carbon metal-organic framework cobalt phosphide zinc air battery water splitting

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Influence of water coupling coefficient on the blasting effect of red sandstone specimens

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International Journal of Coal Science & Technology 2024年第1期11卷 148-166页

作者： yang Li Renshu yang Yanbing wang dairui Fu School of Mechanics and Civil Engineering China University of Mining and Technology(Beijing)Beijing100083China School of Civil and Resource Engineering University of Science and Technology BeijingBeijing100083China

This study investigates the impact of different water coupling coefficients on the blasting effect of red *** analysis is based on the theories of detonation wave and elastic wave,focusing on the variation in wall pressure of the blasting *** ddNP explosive as the explosive load,blasting tests were conducted on red sandstone specimens with four different water coupling coefficients:1.20,1.33,1.50,and *** study examines the morphologies of the rock specimens after blasting under these different water coupling ***,the fractal dimensions of the surface cracks resulting from the blasting were calculated to provide a quantitative evaluation of the extent of rock *** scanning and 3d reconstruction were performed on the post-blasting specimens to visually depict the extent of damage and fractures within the ***,the volume fractal dimension and damage degree of the post-blasting specimens are *** findings are then combined with numerical simulation to facilitate auxiliary *** results demonstrate that an increase in the water coupling coefficient leads to a reduction in the peak pressure on the hole wall and the crushing zone,enabling more of the explosion energy to be utilized for crack propagation following the *** specimens exhibited distinct failure patterns,resulting in corresponding changes in fractal *** simulated pore wall pressure–time curve validated the derived theoretical results,whereas the stress cloud map and explosion energy-time curve demonstrated the buffering effect of the water *** the water coupling coefficient increases,the buffering effect of the water medium becomes increasingly prominent.

关键词： Water coupling coefficient Radial uncoupled charge Numerical simulation Fractal dimension

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Solid-conversion synthesis of three-dimensionally ordered mesoporous ZSM-5 catalysts for the methanol-to-propylene reaction

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Frontiers of Chemical Science and Engineering 2024年第8期18卷 111-122页

作者： Weilong Chun Chenbiao yang Xu wang Xin yang Huiyong Chen School of Chemical Engineering Northwest UniversityXi’an 710069China International Science&Technology Cooperation Base for Clean Utilization of Hydrocarbon Resources Chemical Engineering Research Center of the Ministry of Education for Advanced Use Technology of Shanbei EnergyCollaborative Innovation Center for Development of Energy and Chemical Industry in Northern ShaanxiNorthwest UniversityXi’an 710069China

A facile synthesis of hierarchical ZSM-5 with the three-dimensionally ordered mesoporosity(3dOm ZSM-5)was achieved by solid conversion(SC)of SiO_(2)colloidal crystals to high-crystalline *** products of 3dZ5_S/C and 3dZ5_S,which were severally transformed from the carbon-padded SiO_(2)colloidal crystals and the initial SiO_(2)colloidal crystals,exhibited not only a similar ordered structure and acidity but also higher crystallinity and more balanced meso-/micropore combination in comparison with 3dZ5_C obtained by the conventional confined space crystallization *** three synthesized 3dZ5 catalysts showed improved methanol-to-propylene performance than the commercially microporous ZSM-5(CZ5),embodied in five times longer lifetime,higher propylene selectivity and S_(propylene)/S_(ethylene) ratio(P/E),and superior coke toleration with lower formation rate of coke(R_(coke)).Moreover,the 3dZ5_S catalyst in situ converted from SiO_(2)colloidal crystals presented the highest selectivities of propylene(42.51%)and light olefins(74.6%)among all three 3dZ5 *** high efficiency in synthesis and in situ utilization of SiO_(2)colloidal crystals demonstrate the proposed SC strategy to be more efficiently and eco-friendly for the high-yield production of not only 3dOm ZSM-5 but also other types of hierarchical zeolites.

关键词： hierarchical zeolite three-dimensionally ordered mesoporosity ZSM-5 solid conversion methanol-to-propylene

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2.5-dimension soil seismic response to oblique incident waves based on exact free-field solution

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Frontiers of Structural and Civil Engineering 2024年第2期18卷 216-235页

作者： Yeongbin yang Zeyang Zhou Xiaoli wang Xiongfei Zhang Zhilu wang School of Civil Engineering Chongqing UniversityChongqing 400045China School of Civil Engineering and Architecture Chongqing University of Science and TechnologyChongqing 401331China

With the three dimensional(3d)oblique incident waves exactly determined for the free field,the soil seismic responses in both frequency and time domains are studied by the 2.5 dimension(2.5d)finite/infinite element ***,the free-field responses in frequency domain are solved exactly for 3d arbitrary incident P and SV waves,which requires no coordinate conversion or extra effort for SV waves with super-critical incident ***,the earthquake spectra are incorporated by the concept of equivalent seismic forces on the near-field boundary,based only on the displacements input derived for unit ground accelerations of each frequency using the 2.5d *** the asymmetric 2.5d finite/infinite element model adopted,the procedure for soil seismic analysis is *** solutions computed by the proposed method are verified against those of Wolf’s and de Barros and Luco’s and for inversely calculated ground *** interest is that abrupt variation in soil response occurs around the critical angle on the wave propagation plane for SV *** addition,the horizontal displacements attenuate with increasing horizontal incident angle,while the longitudinal ones increase inversely for 3d incident P and SV waves.

关键词： 3d oblique incident wave seismic response analysis 2.5d approach infinite element half-space

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Post lithium-sulfur battery era:challenges and opportunities towards practical application

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Science China Chemistry 2024年第1期67卷 106-121页

作者： Jiahang Chen yang Zhang Jun yang Yanna Nuli Jiulin wang State Key Laboratory of Chemistry and Utilization of Carbon-Based Energy Resources College of ChemistryXinjiang UniversityUrumqi 830046China department of Chemical Engineering Shanghai Jiao Tong UniversityShanghai 200240China

Lithium-sulfur(Li-S)batteries have been regarded as a promising next-generation energy storage system owing to the high theoretical energy density and natural abundance of *** fundamental researches have pushed the flourishing development on electrochemical behaviors in recent 20 *** is time to evolve into post-Li-S battery era with the pursuit towards practical *** the landmark leap,numerous new challenges appear under harsh conditions,such as high sulfur loading,low cathode density,lean electrolyte and limited lithium ***,we summarize the considerable parameters of pouch Li-S cells and review the pioneering studies focused on the cathode structure,conversion kinetics,electrode interphase and battery *** interwoven relationship of these key points is concluded and discussed,which provides guidance to future researches aiming to safe and long-lifespan Li-S batteries with high energy density.

关键词： lithium-sulfur batteries practical application harsh conditions energy density pouch cells

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dynamic collapse characteristics of the tunnel face induced by the shutdown of earth pressure balance shields(EPB):A 3d material point method study

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Underground Space 2024年第3期16卷 164-182页

作者： Shuying wang Tingyu Liu Xiangcou Zheng Junsheng yang Feng yang School of Civil Engineering Central South UniversityChangsha 410075HunanChina Tunnel and Underground Engineering Research Center of Central South University Changsha 410075HunanChina Hunan Provincial Key Laboratory for disaster Prevention and Mitigation of Rail Transit Engineering Structures Central South UniversityChangsha 410075HunanChina

The collapse of the tunnel face is a prevalent geological disaster in *** study employs a three-dimensional(3d)material point method(MPM)to simulate the dynamic collapse process and post-failure mechanisms of the tunnel *** specific focus is on the scenario where the auxiliary air pressure balanced shield with a partially filled chamber is shut *** assess the suitability of the 3d MPM,numerical solutions are compared with the results from small-scale experimental ***,a series of large-scale numerical simulations is conducted to explore the dynamic collapse characteristics of the tunnel face induced by the shutdown of the EPB shield under various support air pressures and cutter head *** temporal evolution of the accumulated soil masses in the soil chamber and ground responses under different support air pressures,cutter head types and opening ratios are *** particular,the associated surface subsidence due to the tunnel face collapse is determined and compared with empirical *** results confirm the applicability of the 3d MPM for simulating the large-scale tunnel face collapse scenarios,spanning from small to large deformation analysis.

关键词： Large deformation Material point method Partially filled chamber Post-failure mechanism Shield tunnel Tunnel face collapse

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Quantification of CO_(2) Emissions from Three Power Plants in China Using OCO-3 Satellite Measurements

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Advances in Atmospheric Sciences 2024年第11期41卷 2276-2288页

作者： yang yang Minqiang ZHOU Wei wang Zijun NING Feng ZHANG Pucai wang College of data Science Jiaxing UniversityJiaxing 314000China LAGEO Institute of Atmospheric PhysicsChinese Academy of SciencesBeijing 100029China CNRC Institute of Atmospheric PhysicsChinese Academy of SciencesBeijing 100029China Key Laboratory of Atmospheric Environment and Extreme Meteorology Institute of Atmospheric PhysicsChinese Academy of SciencesBeijing 100029China Shanghai Ecological Forecasting and Remote Sensing Center Shanghai 200030China department of Atmospheric and Oceanic Sciences/Institute of Atmospheric Sciences Fudan UniversityShanghai 200082China

Coal-fired power plants are a major carbon source in China. In order to assess the evaluation of China's carbon reduction progress with the promise made on the Paris Agreement, it is crucial to monitor the carbon flux intensity from coal-fired power plants. Previous studies have calculated CO_(2) emissions from point sources based on Orbiting Carbon Observatory-2 and-3(OCO-2 and OCO-3) satellite measurements, but the factors affecting CO_(2) flux estimations are uncertain. In this study, we employ a Gaussian Plume Model to estimate CO_(2) emissions from three power plants in China based on OCO-3 XCO_(2) measurements. Moreover, flux uncertainties resulting from wind information, background values,satellite CO_(2) measurements, and atmospheric stability are discussed. This study highlights the CO_(2) flux uncertainty derived from the satellite measurements. Finally, satellite-based CO_(2) emission estimates are compared to bottom-up *** satellite-based CO_(2) emission estimates at the Tuoketuo and Nongliushi power plants are ~30 and ~10 kt d^(-1) smaller than the Open-data Inventory for Anthropogenic Carbon dioxide(OdIAC) respectively, but ~10 kt d^(-1) larger than the OdIAC at Baotou.

关键词： OCO-3 power plant CO_(2)emission Gaussian Plume Model

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A Correlation-Based Stochastic Model for Massive MIMO Channel

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China Communications 2024年第1期21卷 175-187页

作者： yang Liu Gang Li Chengxiang wang National Mobile Communications Research Laboratory School of Information Science and EngineeringSoutheast UniversityNanjing 211189China School of Internet of Things Engineering Jiangnan UniversityWuxi 214122China Pervasive Communication Research Center Purple Mountain LaboratoriesNanjing 211111China

In this paper,the channel impulse response matrix(CIRM)can be expressed as a sum of couplings between the steering vectors at the base station(BS)and the eigenbases at the mobile station(MS).Nakagami distribution was used to describe the fading of the coupling between the steering vectors and the *** measurements were carried out to evaluate the performance of this proposed ***,the physical implications of this model were illustrated and the capacities are *** addition,the azimuthal power spectrum(APS)of several models was ***,the channel hardening effect was simulated and *** showed that the proposed model provides a better fit to the measured results than the other CBSM,i.e.,Weichselberger ***,the proposed model can provide better tradeoff between accuracy and complexity in channel *** CIRM model can be used for massive MIMO design in the future communication system design.

关键词： CBSM channel capacity channel hardening channel modeling massive MIMO

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Understanding the Low Predictability of the 2015/16 El Niño Event Based on a deep Learning Model

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Advances in Atmospheric Sciences 2024年第7期41卷 1313-1325页

作者： Tingyu wang Ping HUANG Xianke yang Center for Monsoon System Research Institute of Atmospheric PhysicsChinese Academy of SciencesBeijing 100029China National Space Science Center Chinese Academy of SciencesBeijing 100190China State Key Laboratory of Space Weather National Space Science CenterChinese Academy of SciencesBeijing 100190China College of Plant Science and Technology Huazhong Agricultural UniversityWuhan 430070China

The 2015/16 El Niño event ranks among the top three of the last 100 years in terms of intensity,but most dynamical models had a relatively low prediction skill for this event before the summer ***,the attribution of this particular event can help us to understand the cause of super El Niño–Southern Oscillation events and how to forecast them *** present study applies attribute methods based on a deep learning model to study the key factors related to the formation of this event.A deep learning model is trained using historical simulations from 21 CMIP6 models to predict the Niño-3.4 *** integrated gradient method is then used to identify the key signals in the North Pacific that determine the evolution of the Niño-3.4 *** crucial signals are then masked in the initial conditions to verify their roles in the *** addition to confirming the key signals inducing the super El Niño event revealed in previous attribution studies,we identify the combined contribution of the tropical North Atlantic and the South Pacific oceans to the evolution and intensity of this event,emphasizing the crucial role of the interactions among them and the North *** approach is also applied to other El Niño events,revealing several new precursor *** study suggests that the deep learning method is useful in attributing the key factors inducing extreme tropical climate events.

关键词： ENSO attribution deep learning ENSO prediction extreme El Niño

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