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Tuning the oxidation state of Ru to surpass Pt in hydrogen evolution reaction

Nano Research 2021年第11期14卷 4321-4327页

作者： Rongpeng Ma Ying Wang Guoqiang Li Long Yang Shiwei Liu Zhao Jin Xiao Zhao Junjie Ge Wei Xing State Key Laboratory of Electroanalytical Chemistry Laboratory of Advanced Power SourcesChangchun Institute of Applied ChemistryChinese Academy of SciencesChangchun130022China School of Applied Chemistry and Engineering University of Science and Technology of ChinaHefei230026China State Key Laboratory of Rare Earth Resource Utilization Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun130022China State Key Laboratory of Automotive Simulation and Control School of Materials Science and Engineering Key Laboratory of Automobile Materials of MOEJilin UniversityChangchun130012China

The high price of state-of-the-art Pt electrocatalysts has plagued the acidic water electrolysis technique for decades. As a cheaper alternative to Pt, ruthenium is considered an inferior hydrogen evolution reaction (HER) catalyst than Pt due to its high susceptibility to oxidation and loss of activity. Herein, we reveal that the HER activity on Ru based catalysts could surpass Pt via tuning Ru oxidation state. Specifically, RuP clusters encapsulated in few layers of N, P-doped carbon (RuP@NPC) display a minimum over potential of 15.6 mV to deliver 10 mA·cm^(−2). Moreover, we for the first time show that a Ru based catalyst could afford current density up to 4 A·cm^(−2) in a practical water electrolysis cell, with voltage even lower than the Pt/C-based cell, as well as high robustness during 200 h operation. Using a combination of experiment probing and calculation, we postulate that the suitably charged Ru (∼ +2.4) catalytic center is the origin for its superior catalytic behavior. While the moderately charged Ru is empowered with optimized H adsorption behavior, the carbon encapsulation layers protect RuP clusters from over oxidation, thereby conferring the catalyst with high robustness.

关键词： RuP clusters Ru oxidation state hydrogen evolution encapsulating/confining layers

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Anthropogenic monoterpenes aggravating ozone pollution

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National science Review 2022年第9期9卷 178-185页

作者： Haichao Wang Xuefei Ma Zhaofeng Tan Hongli Wang Xiaorui Chen Shiyi Chen Yaqin Gao Ying Liu Yuhan Liu Xinping Yang Bin Yuan Limin Zeng Cheng Huang Keding Lu Yuanhang Zhang State Key Joint Laboratory of Environmental Simulation and Pollution Control State Environmental Protection Key Laboratory of Atmospheric Ozone Pollution ControlCollege of Environmental Sciences and Engineering Peking University School of Atmospheric Sciences Sun Yat-sen University Guangdong Provincial Observation and Research Station for Climate Environment and Air Quality Change in the Pearl River Estuary Key Laboratory of Tropical Atmosphere–Ocean System Ministry of Education Southern Marine Science and Engineering Guangdong Laboratory(Zhuhai) Institute of Energy and Climate Research IEK-8:TroposphereForschungszentrum Jülich Gmb H State Environmental Protection Key Laboratory of Formation and Prevention of the Urban Air Complex Shanghai Academy of Environmental Sciences Institute for Environmental and Climate Research Jinan University

Monoterpenes have been known to have a critical influence on air quality and climate change through their impact on the formation of fine *** we present field evidence that monoterpene oxidations largely enhanced local ozone production in a regional site in eastern *** observed monoterpene was most likely from biomass burning rather than biogenic emissions,as indicated by the high correlation with CO at night-time,and the observed ratio of these two species was consistent with previously determined values from biomass burning *** monoterpene oxidations were determined experimentally based on direct radical measurements,leading to a daily ozone enhancement of 4-18 parts per billion by volume（ppb）,which was 6%-16% of the total ozone production,depending on the speciation of *** demonstrates that the previously overlo oked anthropogenic monoterpenes make an important contribution to 03 production in eastern *** role could possibly be important at similar locations across China and other parts of the world that are characterized by massive emissions,especially where there are high *** results highlight that anthropogenic monoterpenes should be taken into account when proceeding with the coordinated mitigation of O3and particulate matter pollution.

关键词： monoterpenes ozone pollution biomass burning anthropogenic emissions radical chemistry

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Driving selective photoelectrocatalytic oxidation of seawater to oxygen via regulating interfacial water structures on titanium oxides

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Chinese Journal of Catalysis 2025年第5期72卷 154-163页

作者： Qisen Jia Yanan Wang Yan Zhao Zhenming Tian Luyao Ren Xuejing Cui Guangbo Liu Xin Chen Wenzhen Li Luhua Jiang Nanomaterials&Electrocatalysis Laboratory College of Materials Science and EngineeringQingdao University of Science and TechnologyQingdao 266042ShandongChina State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation Southwest Petroleum UniversityChengdu 610500SichuanChina Center for Computational Chemistry and Molecular Simulation College of Chemistry and Chemical EngineeringSouthwest Petroleum UniversityChengdu 610500SichuanChina Department of Chemical&Biological Engineering Iowa State UniversityAmesIA 50011–1098United States

Photoelectrocatalytic(PEC)seawater splitting as a green and sustainable route to harvest hydrogen is attractive yet hampered by low activity of photoanodes and unexpected high selectivity to the corrosive and toxic ***,it is full of challenges to unveil the key factors influencing the selectivity of such complex PEC ***,by regulating the energy band and surface structure of the anatase TiO_(2) nanotube array photoanode via nitrogen-doping,the seawater PEC oxidation shifts from Cl^(-)oxidation reaction(ClOR)dominant on the TiO_(2) photoanode(61.6%)to oxygen evolution reaction(OER)dominant on the N-TiO_(2) photoanode(62.9%).Comprehensive investigations including operando photoelectrochemical FTIR and DFT calculations unveil that the asymmetric hydrogen-bonding water at the N-TiO_(2) electrode/electrolyte interface enriches under illumination,facilitating proton transfer and moderate adsorption strength of oxygen-intermediates,which lowers the energy barrier for the OER yet elevates the energy barrier for the ClOR,resulting to a promoted selectivity towards the *** work sheds light on the underlying mechanism of the PEC water oxidation processes,and highlights the crucial role of interfacial water on the PEC selectivity,which could be regulated by controlling the energy band and the surface structure of semiconductors.

关键词： Photoelectrocatalysis Seawater splitting Selectivity Interfacial water structure Energy band structure

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ENHANCED GRADIENT RECOVERY-BASED A POSTERIORI ERROR ESTIMATOR AND ADAPTIVE FINITE ELEMENT METHOD FOR ELLIPTIC EQUATIONS

arXiv

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arXiv 2025年

作者： Liu, Ying Xiao, Jingjing Yi, Nianyu Cao, Huihui Department of Mathematics School of Science Xi’an University of Technology Xi’an710000 China School of Mathematics Shandong University Jinan250100 China School of Mathematics and Computational Science Xiangtan University Hunan Key Laboratory for Computation and Simulation in Science and Engineering Hunan National Center for Applied Mathematics Xiangtan411105 China

Recovery type a posteriori error estimators are popular, particularly in the engineering community, for their computationally inexpensive, easy to implement, and generally asymptotically exactness. Unlike the residual type error estimators, one can not establish upper and lower a posteriori error bounds for the classical recovery type error estimators without the saturation assumption. In this paper, we first present three examples to show the unsatisfactory performance in the practice of standard residual or recovery-type error estimators, then, an improved gradient recovery-based a posteriori error estimator is constructed. The proposed error estimator contains two parts, one is the difference between the direct and post-processed gradient approximations, and the other is the residual of the recovered gradient. The reliability and efficiency of the enhanced estimator are derived. Based on the improved recovery-based error estimator and the newest-vertex bisection refinement method with a tailored mark strategy, an adaptive finite element algorithm is designed. We then prove the convergence of the adaptive method by establishing the contraction of gradient error plus oscillation. Numerical experiments are provided to illustrate the asymptotic exactness of the new recovery-based a posteriori error estimator and the high efficiency of the corresponding adaptive algorithm. Copyright © 2025, The Authors. All rights reserved.

关键词： Finite element method

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Diffuse tumors: Molecular determinants shared by different cancer types

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Computers in Biology and Medicine 2024年 178卷 108703-108703页

作者： Li, Xuan Liu, Dingyun Wu, Zhipeng Xu, Ying Key Laboratory of Symbolic Computation and Knowledge Engineering of Ministry of Education College of Computer Science and Technology Jilin University Changchun130012 China School of Medicine Southern University of Science and Technology Shenzhen China

Most cancer types have both diffuse and non-diffuse subtypes, which have rather distinct morphologies, namely scattered tiny tumors vs. one solid tumor, and different levels of aggressiveness. However, the causes for forming such distinct subtypes remain largely unknown. Using the diffuse and non-diffuse gastric cancers (GCs) as the illustrative example, we present a computational study based on the transcriptomic data from the TCGA and GEO databases, to address the following questions: (i) What are the key molecular determinants that give rise to the distinct morphologies between diffuse and non-diffuse cancers? (ii) What are the main reasons for diffuse cancers to be generally more aggressive than non-diffuse ones of the same cancer type? (iii) What are the reasons for their distinct immunoactivities? And (iv) why do diffuse cancers on average tend to take place in younger patients? The study is conducted using the framework we have previously developed for elucidation of general drivers cancer formation and development. Our main discoveries are: (a) the level of (poly-) sialic acids deployed on the surface of cancer cells is a significant factor contributing to questions (i) and (ii);(b) poly-sialic acids synthesized by ST8SIA4 are the key to question (iii);and (c) the circulating growth factors specifically needed by the diffuse subtype dictate the answer to question (iv). All these predictions are substantiated by published experimental studies. Our further analyses on breast, prostate, lung, liver, and thyroid cancers reveal that these discoveries generally apply to the diffuse subtypes of these cancer types, hence indicating the generality of our discoveries. © 2024

关键词： Tumors

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Highly efficient P uptake by Fe3O4 loaded amorphous Zr-La (carbonate) oxides: Electrostatic attraction, inner-sphere complexation and oxygen vacancies acceleration effect

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Journal of Environmental sciences 2022年第10期34卷 18-29页

作者： Chenyang Liu Yili Wang Xiaolin Li Junyi Li Shuoxun Dong Haotian Hao Yao Tong Yanqing Zhou College of Environmental Science and Engineering Beijing Key Lab for Source Control Technology of Water PollutionBeijing Forestry UniversityBeijing 100083China Center for Water and Ecology State Key Joint Laboratory of Environment Simulation and Pollution ControlSchool of EnvironmentTsinghua UniversityBeijing 100084China Research Center for Eco-Environmental Sciences Chinese Academy of SciencesBeijing 100085China

Bimetallic oxides composites have received an increasing attention as promising adsorbents for aqueous phosphate (P) removal in recent years. In this study, a novel magnetic composite MZLCO was prepared by hybridizing amorphous Zr-La (carbonate) oxides (ZLCO) with nano-FeOthrough a one-pot solvothermal method for efficient phosphate adsorption. Our optimum sample of MZLCO-45 exhibited a high Langmuir maximum adsorption capacity of 96.16 mg P/g and performed well even at low phosphate concentration. The phosphate adsorption kinetics by MZLCO-45 fitted well with the pseudo-second-order model, and the adsorption capacity could reach 79% of the ultimate value within the first 60 min. The phosphate adsorption process was highly p H-dependent, and MZLCO-45 performed well over a wide p H range of 2.0-8.0. Moreover, MZLCO-45 showed a strong selectivity to phosphate in the presence of competing ions (Cl^(-), NO_(3)^(-), SO_(4)^(2-), HCO_(3)^(-), Ca^(2+), and Mg^(2+)) and a good reusability using the eluent of Na OH/Na Cl mixture, then 64% adsorption capacity remained after ten recycles. The initial 2.0 mg P/L in municipal wastewater and surface water could be efficiently reduced to below 0.1mg P/L by 0.07 g/L MZLCO-45, and the phosphate removal efficiencies were 95.7% and 96.21%, respectively. Phosphate adsorption mechanisms by MZLCO-45 could be attributed to electrostatic attraction and the inner-sphere complexation via ligand exchange forming Zr/La-O-P, -OH and CO_(3)^(2-)groups on MZLCO-45 surface played important roles in the ligand exchange process. The existence of oxygen vacancies could accelerate the phosphate absorption rate of the MZLCO-45 composites.

关键词： Fe3O4 loaded amorphous Zr-La(carbonate)oxides Phosphate adsorption performance Regeneration Mechanism Real water treatment

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Quantum state tomography from observable time traces in closed quantum systems

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Control Theory and Technology 2024年第2期22卷 222-234页

作者： Shuixin Xiao Yuanlong Wang Qi Yu Jun Zhang Daoyi Dong Ian R.Petersen University of Michigan–Shanghai Jiao Tong University Joint Institute Shanghai Jiao Tong UniversityShanghai200240China School of Engineering The Australian National UniversityCanberraACT2601Australia Key Laboratory of Systems and Control Academy of Mathematics and Systems ScienceChinese Academy of SciencesBeijing100190China Centre for Quantum Computation and Communication Technology(Australian Research Council) Centre for Quantum DynamicsGriffith UniversityBrisbaneQLD4111Australia School of Engineering and Technology University of New South WalesCanberraACT2600Australia

The task to estimate all the parameters of an unknown quantum state, also called quantum state tomography, is essential for characterizing and controlling quantum systems. In this paper, we utilize observable time traces to identify the initial quantum state of a closed quantum system, based on the state space approach in the control theory. In the informationally complete scenario, we show that with a linear regression estimation (LRE), the mean squared error (MSE) scales as , where N is the resource number. In the informationally incomplete scenario, we introduce regularization LRE to perform the state tomography task. We employ PBH test to demonstrate that closed quantum systems with only one observable are informationally incomplete and propose using observables, where d is the dimension of the quantum state, for informational completeness. Numerical examples demonstrate the effectiveness of our method.

关键词： Quantum state tomography Time trace Quantum system identification

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Multi-Objective Coordination and Stability Control of High Proportion Wind Power System Based on K-Domain Tuning Damping 19th

Multi-Objective Coordination and Stability Control of High P...

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19th Annual Conference of China Electrotechnical Society, ACCES 2024

作者： Zhang, Qingtao Gao, Diju Zhang, Dan Cai, Haiqing Gu, Haohan Chen, Wei Wu, Wencong Chen, Zhihao Institute of Logistics Engineering Shanghai Maritime University Shanghai China Institute of Logistic Science and Engineering Shanghai Maritime University Shanghai China Guangdong Provincial Key Laboratory of Intelligent Operation and Control for New Energy Power System Guangzhou China State Key Laboratory of HVDC Electric Power Research Institute China Southern Power Grid Guangzhou China National Energy Power Grid Technology R&D Centre Guangzhou China CSG Key Laboratory for Power System Simulation Electric Power Research Institute China Southern Power Grid Guangzhou China

ISBN: (纸本)9789819608966

With the further development of "double high" characteristics of power system, the traditional stability problem dominated by synchronous generator has gradually evolved into a new stability problem dominated by power electronic equipment control. In addition, different types of failure problems can occur in wind power systems. In order to achieve multi-objective coordinated and stable operation of high proportion wind power system, a damping control method with parameters tuning is proposed, which includes the design of filtering link and proportional amplification link. Among them, the key parameters of the proportional link are adjusted. Finally, the feasibility of the proposed control method is verified by simulation tests. © Beijing Paike Culture Commu. Co., Ltd. 2025.

关键词： Electric power system stability

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A C0-continuous nonconforming virtual element method for linear strain gradient elasticity

arXiv

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arXiv 2024年

作者： Huang, Jianguo Yu, Yue School of Mathematical Sciences MOE-LSC Shanghai Jiao Tong University Shanghai200240 China Hunan Key Laboratory for Computation and Simulation in Science and Engineering Key Laboratory of Intelligent Computing and Information Processing of Ministry of Education National Center for Applied Mathematics in Hunan School of Mathematics and Computational Science Xiangtan University Hunan Xiangtan411105 China

A robust C0-continuous nonconforming virtual element method (VEM) is developed for a boundary value problem arising from strain gradient elasticity in two dimensions, with the family of polygonal meshes satisfying a very general geometric assumption given in Brezzi et al. (2009) and Chen and Huang (2018). The stability condition of the VEMs is derived by establishing Korn-type inequalities and inverse inequalities. Some crucial commutative relations for locking-free analysis as in elastic problems are derived. The sharp and uniform error estimates with respect to both the microscopic parameter and the Lamé coefficient are achieved in the lowest-order case, which is also verified by numerical *** Codes 65N12, 65N15, 65N22, 65N30 © 2024, CC BY-NC-ND.

关键词： Boundary value problems

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Integrating NLP and Ontology Matching into a Unified System for Automated Information Extraction from Geological Hazard Reports

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Journal of Earth science 2023年第5期34卷 1433-1446页

作者： Qinjun Qiu Zhen Huang Dexin Xu Kai Ma Liufeng Tao Run Wang Jianguo Chen Zhong Xie Yongsheng Pan Key Laboratory of Urban Land Resources Monitoring and Simulation Ministry of Natural ResourcesShenzhen 518034China Key Laboratory of Geological Survey and Evaluation of Ministry of Education China University of GeosciencesWuhan 430074China Beijing Key Laboratory of Urban Spatial Information Engineering Beijing 100045China School of Geography and Information Engineering China University of GeosciencesWuhan 430074China Wuhan Geomatics Institute Wuhan 430074China College of Computer and Information Technology China Three Gorges UniversityYichang 443002China Hubei Key Laboratory of Intelligent Vision Based Monitoring for Hydroelectric Engineering China Three Gorges UniversityYichang 443002China Geological Environmental Center of Hubei Province Wuhan 430034China Faculty of Earth Resources China University of GeosciencesWuhan 430074China State Key Laboratory of Geological Processes and Mineral Resources China University of GeosciencesWuhan 430078China Wuhan Zondy Cyber Science&Technology Co. Ltd.Wuhan 430074China

Many detailed data on past geological hazard events are buried in geological hazard reports and have not been fully utilized. The growing developments in geographic information retrieval and temporal information retrieval offer opportunities to analyse this wealth of data to mine the spatiotemporal evolution of geological disaster occurrence and enhance risk decision making. This study presents a combined NLP and ontology matching information extraction framework for automatically recognizing semantic and spatiotemporal information from geological hazard reports. This framework mainly extracts unstructured information from geological disaster reports through named entity recognition, ontology matching and gazetteer matching to identify and annotate elements, thus enabling users to quickly obtain key information and understand the general content of disaster reports. In addition, we present the final results obtained from the experiments through a reasonable visualization and analyse the visual results. The extraction and retrieval of semantic information related to the dynamics of geohazard events are performed from both natural and human perspectives to provide information on the progress of events.

关键词： geological hazard report spatiotemporal information geological hazard ontology natural language processing gazetteers onlology machine learning

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