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Enhancing multifunctional photocatalysis with acetate-assisted cesium doping and unlocking the potential of Z-scheme solar water splitting

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Carbon Energy 2024年第3期6卷 178-195页

作者： Mengmeng ma Jingzhen Li xiaogang Zhu Kong Liu Kaige Huang Guodong Yuan Shizhong Yue Zhijie Wang Shengchun Qu Key Laboratory of Semiconductor materials Science Beijing Key Laboratory of Low Dimensional Semiconductor Materials and DevicesInstitute of SemiconductorsChinese Academy of SciencesBeijingChina Center of materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijingChina Department of Physics College of Physical Science and TechnologyXiamen UniversityXiamenChina State Key Laboratory for Superlattices and Microstructures Institute of SemiconductorsChinese Academy of SciencesBeijingChina

Graphitic carbon nitride(g-C_(3)N_(4))has been extensively doped with alkali metals to enlarge photocatalytic output,in which cesium(Cs)doping is predicted to be the most efficient.Nevertheless,the sluggish diffusion and doping kinetics of precursors with high melting points,along with imprecise regulation,have raised the debate on whether Cs doping could make sense.For this matter,we attempt to confirm the positive effects of Cs doping on multifunctional photocatalysis by first using cesium acetate with the character of easy manipulation.The optimized Csdoped g-C_(3)N_(4)(CCN)shows a 41.6-fold increase in visible-light-driven hydrogen evolution reaction(HER)compared to pure g-C_(3)N_(4) and impressive degradation capability,especially with 77%refractory tetracycline and almost 100%rhodamine B degradedwithin an hour.The penetration ofCs+is demonstrated to be a mode of interlayer doping,and Cs–N bonds(especially with sp^(2) pyridine N in C═N–C),along with robust chemical interaction and electron exchange,are fabricated.This atomic configuration triggers the broadened spectral response,the improved charge migration,and the activated photocatalytic capacity.Furthermore,we evaluate the CCN/cadmium sulfide hybrid as a Z-scheme configuration,promoting the visible HER yield to 9.02 mmol g^(−1) h^(−1),which is the highest ever reported among all CCN systems.This work adds to the rapidly expanding field of manipulation strategies and supports further development of mediating served for photocatalysis.

关键词： acetate-assisted cesium doping multifunctional photocatalysis Z-scheme

The geoscience knowledge system,ontology and knowledge graph for data-driven discovery:Preface

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Geoscience Frontiers 2023年第5期14卷 332-333页

作者： Xiumian Hu xiaogang ma Chao ma Hairong Lv School of Earth Sciences and Engineering Nanjing UniversityPR China Department of Computer Science University of IdahoUSA Institute of Sedimentary Geology Chengdu University of TechnologyPR China Department of Automation Tsinghua UniversityPR China

Earth science data have shown rapid growth since the 21st century with the improvement of experimental instruments and testing methods.This provides a basis for revealing the evolutionary history of life,climate,palaeogeography and economic deposits by using big data.However,it is a major challenge to integrate Earth science data for the complexity of the Earth system,the great number of terminologies in Earth science,the diversity of research methods and proxies,and the diversification of data types.

关键词： knowledge methods. Earth

Dual-filler reinforced PVDF-HFP based polymer electrolyte enabling high-safety design of lithium metal batteries

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Nano Research 2024年第6期17卷 5251-5260页

作者： Chang Fang Kangsheng Huang Jing Zhao Shiqi Tian Hui Dou xiaogang Zhang Jiangsu Key Laboratory of Electrochemical Energy Storage Technologies College of Materials Science and TechnologyNanjing University of Aeronautics and AstronauticsNanjing 210016China

Despite the high energy density of lithium metal batteries(LMBs),their application in rechargeable batteries is still hampered due to insufficient safety.Here,we present a novel flame-retardant solid-state electrolyte based on polyvinylidene fluoride-hexafluoropropylene(PVDF-HFP)with nano SiO_(2)aerogel as an inert filler but Li_(6.4)La_(3)Zr_(1.4)Ta_(0.6)O_(12)(LLZTO)as an auxiliary component to enhance the ion conductivity.The introduction of SiO_(2)aerogels imparts the polymer electrolyte with exceptional thermal stability and flame retardancy.Simultaneously,the interaction between hydroxyl groups of SiO_(2)particles and PVDF-HFP creates a strong cross-linking structure,enhancing the mechanical strength and stability of the electrolyte.Furthermore,the presence of SiO_(2)aerogel and LLZTO facilitates the dissociation of lithium salts through Lewis acid-base interactions,resulting in a high ionic conductivity of 1.01×10^(−3)S·cm^(−1)and a wide electrochemical window of~5.0 V at room temperature for the prepared electrolytes.Remarkably,the assembled Li|Li cell demonstrates the excellent resistance to lithium dendrite and runs stablly for over 1500 h at a current density of 0.25 ma·cm^(−2).Thus,we prepare a pouch cell with high safety,which can work normally after short-circuiting under the external folding and cutting.

关键词： polymer electrolyte SiO_(2)/Li_(6.4)La_(3)Zr_(1.4)Ta_(0.6)O_(12)(LLZTO)dual-filler non-flammable long cycle life lithium metal battery

Quick estimation of parameters for the land surface data assimilation system and its influence based on the extended Kalman filter and automatic differentiation

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Science China Earth Sciences 2023年第11期66卷 2546-2562页

作者： Jiaxin TIAN Hui LU Kun YANG Jun QIN Long ZHAO Jianhong ZHOU Yaozhi JIANG xiaogang ma Department of Earth System Science Ministry of Education Key Laboratory for Earth System ModelingInstitute for Global Change StudiesTsinghua UniversityBeijing 100084China National Tibetan Plateau Data Center Key Laboratory of Tibetan Environmental Changes and Land Surfaces ProcessesInstitute of Tibetan Plateau ResearchChinese Academy of SciencesBeijing 100101China State Key Laboratory of Resources and Environmental Information System Institute of Geographic Sciences and Natural Resources ResearchChinese Academy of SciencesBeijing 100101China Chongqing Jinfo Mountain Karst Ecosystem National Observation and Research Station School of Geographical SciencesSouth-west UniversityChongqing 400715China Tsinghua University(Department of Earth System Science)-Xi’an Institute of Surveying and mapping Joint Research Center for Next-Generation Smart mapping Beijing 100084China

Soil moisture plays a crucial role in drought monitoring,flood forecasting,and water resource management.Data assimilation methods can integrate the strengths of land surface models(LSM)and remote sensing data to generate highprecision and spatio-temporally continuous soil moisture products.However,one of the challenges of the land data assimilation system(LDAS)is how to accurately estimate model and observation errors.To address this,we had previously proposed a dualcycle assimilation algorithm that can simultaneously estimate the model and observation errors,LSM parameters,and observation operator parameters.However,this algorithm requires a large ensemble size to guarantee stable parameter estimates,resulting in low efficiency and limiting its large-scale applications.To address this limitation,the authors employed the following approaches:(1)using automatic differentiation to compute the Jacobian matrix of LSM instead of constructing a tangent linear model of LSM,and(2)replacing the ensemble Kalman filter framework with the extended Kalman filter(EKF)framework to improve the efficiency of parameter optimization for the dual-cycle algorithm.The EKF-based dual-cycle algorithm accelerated the parameter estimation efficiency near 60 times during a 90-day time period with a model integration time step of 1 h.To evaluate the dual-cycle LDAS at the regional-scale,it was applied to assimilate the SmaP soil moisture over the Tibetan Plateau,and soil moisture estimates were validated using in situ observations from four different climatic areas.The results showed that the EKF-based dual-cycle LDAS corrected biases in both the model and observations and produced more accurate estimates of soil moisture,land surface temperature,and evapotranspiration than did the open loop with default parameters.Furthermore,the spatial distribution of soil parameters(sand content,clay content,and porosity)obtained from the LDAS was more reasonable than those of default values.The EKF-based dual-cycle algorithm developed in this study is

关键词： Soil moisture Data assimilation Parameter optimization Bias correction Error estimation Automatic differentiation

Knowledge System,Ontology,and Knowledge Graph of the Deep-Time Digital Earth(DDE): Progress and Perspective

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地球科学学刊:英文版 2023年第5期34卷 1323-1327页

作者： Xiumian Hu Yiwei Xu xiaogang ma Yunqiang Zhu Chao ma Chao Li Hairong Lü Xinbing Wang Chenghu Zhou Chengshan Wang School of Earth Sciences and Engineering Nanjing UniversityNanjing 210023China State Key Laboratory of Palaeobiology and Stratigraphy Nanjing Institute of Geology and Palaeontology and Center for Excellence in Life and PaleoenvironmentChinese Academy of SciencesNanjing 210008China Department of Computer Science University of IdahoMoscow ID 83844USA Institute of Geographical Science and Natural Resources Chinese Academy of SciencesBeijing 100101China State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation&Institute of Sedimentary Geology&College of Computer Science and Cyber Security Chengdu University of TechnologyChengdu 610059China IUGS Deep-Time Digital Earth Research Center of Excellence Suzhou 215101China Department of Automation Tsinghua UniversityBeijing 100084China School of Electronic Information and Electrical EngineeringShanghai Jiao Tong UniversityShanghai 200240China State Key Laboratory of Biogeology and Environmental Geology China University of GeosciencesBeijing 100083China

THE USE OF KNOWLEDGE GRAPH IN NATURAL SCIENCE Knowledge graph is a field of Artificial Intelligence(AI)that aims to represent knowledge in the form of graphs,consisting of nodes and edges which represent entities and relationships between nodes respectively(Aidan et al.,2022).Although the knowledge graph was popularized recently due to use of this idea in Google’s search engine in 2012(Amit,2012),its root can be traced back to the emergence of the Semantic Web as well as earlier works in ontology(Aggarwal,2021).

关键词： DDE Google Web Semantic

Provenance Documentation to Enable Explainable and Trustworthy AI:A Literature Review

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Data Intelligence 2023年第1期5卷 139-162页

作者： Amruta Kale Tin Nguyen Frederick C.Harris Jr. Chenhao Li Jiyin Zhang xiaogang ma Department of Computer Science Universityof IdahoMoscowID83844USA Department of Computer Science and Engineering University of NevadaRenoRenoNV 89557USA

Recently artificial intelligence(AI)and machine learning(ML)models have demonstrated remarkable progress with applications developed in various domains.It is also increasingly discussed that AI and ML models and applications should be transparent,explainable,and trustworthy.Accordingly,the field of Explainable AI(XAI)is expanding rapidly.XAI holds substantial promise for improving trust and transparency in AI-based systems by explaining how complex models such as the deep neural network(DNN)produces their outcomes.Moreover,many researchers and practitioners consider that using provenance to explain these complex models will help improve transparency in AI-based systems.In this paper,we conduct a systematic literature review of provenance,XAI,and trustworthy AI(TAI)to explain the fundamental concepts and illustrate the potential of using provenance as a medium to help accomplish explainability in AI-based systems.Moreover,we also discuss the patterns of recent developments in this area and offer a vision for research in the near future.We hope this literature review will serve as a starting point for scholars and practitioners interested in learning about essential components of provenance,XAI,and TAI.

关键词： Explainable AI Trustworthy AI Provenance documentation Workflow platforms Data science

A knowledge graph and service for regional geologic time standards

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Geoscience Frontiers 2023年第5期14卷 334-342页

作者： Chao ma Amruta Suresh Kale Jiyin Zhang xiaogang ma Department of Computer Science University of Idaho875 Perimeter DriveMS 1010MoscowID 83844-1010USA State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation Chengdu University of TechnologyChengdu 610059China

Geologic time is an important dimension in geological research.Geologic time data are commonly collected from multiple sources in data-intensive studies of Earth’s history and raise an issue of data cleansing and integration.A knowledge graph of the international geological time scale has been established to harmonize heterogeneous data to facilitate effective and efficient data-driven discovery.Although many regional geologic time standards are also used in various databases and literature,there is limited discussion or development of knowledge graph for them.In this research,we construct a knowledge graph for the geologic time standards in 17 regions at the Epoch and Age levels.This regional geologic time knowledge graph is integrated with the international geologic time knowledge graph as a comprehensive deep-time knowledge base.A SPARQL endpoint has been established to provide open and free online service to the knowledge base.Several use cases are presented here to demonstrate the functionality of the knowledge graph we built as well as its application in open data exploration.Our work addresses the shortage of machine-readable knowledge graphs for regional geologic time standards and will help accelerate geologic data integration from multiple sources in data-intensive studies.All data and code in this paper are made open source and are accessible on GitHub and Zenodo.

关键词： Knowledge graph Regional geologic time standard Ontology Semantic technology

Ontology Dynamics in a Data Life Cycle: Challenges and Recommendations from a Geoscience Perspective

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Journal of Earth Science 2014年第2期25卷 407-412页

作者： xiaogang ma Peter Fox Eric Rozell Patrick West Stephan Zednik Tetherless World Constellation School of Science Rensselaer Polytechnic Institute

Ontologies are increasingly deployed as a computer-accessible representation of key semantics in various parts of a data life cycle and, thus, ontology dynamics may pose challenges to data management and re-use. By using examples in the field of geosciences, we analyze challenges raised by ontology dynamics, such as heavy reworking of data, semantic heterogeneity among data providers and users, and error propagation in cross-discipline data discovery and re-use. We also make recommendations to address these challenges：（1） communities of practice on ontologies to re- duce inconsistency and duplicated efforts; （2） use ontologies in the procedure of data collection and make them accessible to data users; and （3） seek methods to speed up the reworking of data in a Semantic Web context.

关键词： semantic web knowledge evolution data transformation geoscience.

Cross-sectional rainfall observation on the central-western Tibetan Plateau in the warm season:System design and preliminary results

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Science China Earth Sciences 2023年第5期66卷 1015-1030页

作者： Kun YANG Yingying CHEN Lazhu Changhui ZHAN Xiaoyan LING Xu ZHOU Yaozhi JIANG Xiangnan YAO Hui LU xiaogang ma Lin OUYANG Weihao PAN Yanghang REN Changkun SHAO Jiaxin TIAN Yan WANG Hua YANG Siyu YUE Ke ZHANG Dingchi ZHAO Long ZHAO Jianhong ZHOU Mijun ZOU Ministry of Education Key Laboratory for Earth System Modeling Department of Earth System ScienceInstitute for Global Change StudiesTsinghua UniversityBeijing100084China National Tibetan Plateau Data Center State Key Laboratory of Tibetan Plateau Earth System and Resource EnvironmentInstitute of Tibetan Plateau ResearchChinese Academy of SciencesBeijing100101China Research Center for Ecology College of ScienceTibet UniversityLhasa850011China Key Laboratory of Land Surface Pattern and Simulation Institute of Geographic Science and Natural Resources ResearchChinese Academy of SciencesBeijing100101China Chongqing Jinfo Mountain Karst Ecosystem National Observation and Research Station School of Geographical SciencesSouthwest UniversityChongqing400715China

The central and western Tibetan Plateau(CWTP)is characterized by harsh environment and strong interactions among the spheres of earth as well as significant changes in climate and water cycles over the past four decades.The lack of precipitation observations is a bottleneck for the study of land surface processes in this region.Over the past six years,we have designed and established two observation transects across the south-north and the west-east in this region to obtain hourly rainfall data during the warm season(may-September).The south-north transect extends from Yadong Valley on the southern slope of the Himalayas to Shuanghu County in the hinterland of the plateau,with a total of 31stations;the west-east transect extends from Shiquanhe in the west to Naqu in the central TP,with a total of 22 stations.The observation dataset has been applied to clarify the spatiotemporal characteristics of precipitation in the CWTP,to evaluate the quality of typical gridded precipitation products,to support the development of regional climate models,and to reveal the processes of summertime lake-air interactions.The observation dataset has been released in the National Tibetan Plateau Data Center.

关键词： Central and western Tibetan Plateau Rainfall observation transects Observation uncertainty Spatiotemporal characteristics of precipitation Precipitation data evaluation