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Origin of the Disparity between the Stability of Transmutated Mix-Cation and Mix-Anion Compounds

Chinese Physics Letters 2024年第5期41卷 53-60页

作者：野仕伟耿松源梁汉普张燮魏苏淮 Beijing Computational Science Research Center Beijing 100193China Advanced Materials Thrust Function HubHong Kong University of Science and TechnologyGuangzhou 511458China School of Materials Science and Engineering Northwestern Polytechnical UniversityXi’an 710072China

Transmutation is an efficient approach for material design. For example, ternary compound CuGaSe_(2) in chalcopyrite structure is a promising material for novel optoelectronic and thermoelectric device applications. It can be considered as formed from the binary host compound ZnSe in zinc-blende structure by cation transmutation(i.e., replacing two Zn atoms by one Cu and one Ga). While cation-transmutated materials are common, aniontransmutated ternary materials are rare, for example, Zn_(2)As Br(i.e., replacing two Se atoms by one As and one Br)is not reported. The physical origin for this puzzling disparity is unclear. In this work, we employ first-principles calculations to address this issue, and find that the distinct differences in stability between cation-transmutated(mix-cation) and anion-transmutated(mix-anion) compounds originate from their different trends of ionic radii as functions of their ionic state, i.e., for cations, the radius decreases with the increasing ionic state, whereas for anions, the radius increases with the increasing absolute ionic state. Therefore, for mix-cation compounds,the strain energy and Coulomb energy can be simultaneously optimized to make these materials stable. In contrast, for mix-anion systems, minimization of Coulomb energy will increase the strain energy, thus the system becomes unstable or less stable. Thus, the trend of decreasing strain energy and Coulomb energy is consistent in mix-cation compounds, while it is opposite in mix-anion compounds. Furthermore, the study suggests that the stability strategy for mix-anion compounds can be controlled by the ratio of ionic radii r3/r1, with a smaller ratio indicating greater stability. Our work, thus, elucidates the intrinsic stability trend of transmutated materials and provides guidelines for the design of novel ternary materials for various device applications.

关键词： stability stability ternary

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Advances of machine learning in multi-energy district communities‒ mechanisms, applications and perspectives

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Energy and AI 2022年第4期10卷 190-217页

作者： Yuekuan Zhou Sustainable Energy and Environment Thrust Function HubThe Hong Kong University of Science and Technology(Guangzhou)NanshaGuangzhou511400GuangdongChina Department of Mechanical and Aerospace Engineering The Hong Kong University of Science and TechnologyClear Water BayHong Kong SARChina HKUST Shenzhen-Hong Kong Collaborative Innovation Research Institute FutianShenzhen

Energy paradigm transition towards the carbon neutrality requires combined and continuous efforts in cleaner power production, advanced energy storages, flexible district energy demands and energy management strategies. Applications of cutting-edge machine learning techniques can improve the system reliability with advanced fault detection and diagnosis (FDD), automation with agent-based reinforcement learning, flexibility with model predictive controls, and so on. In this study, a comprehensive review on artificial intelligence applications in carbon-neutral district community, has been conducted, from perspectives of energy supply, energy storage, district demands and energy management. Classifications and underlying mechanisms on ML techniques have been demonstrated, including supervised, unsupervised, reinforcement and deep learning. Afterwards, practical applications of ML have been reviewed, in respect to renewable energy supply, hybrid energy storages, district energy demand and advanced energy management. Results indicate that, supervised learning was mainly applied in classification and regression, and unsupervised learning was mainly applied in clustering. The reinforcement learning is mainly applied in on-line optimal scheduling for building energy management. With respect to clean energy supply, ML in solar and wind energy systems mainly include solar irradiance forecasting, wind resource forecasting, PV power prediction, maximum power point tracking (MPPT) for smart control, fault detection and diagnosis. ML in fuel cells mainly includes performance prediction, material selection, combination and so on. Furthermore, in respect to hybrid energy storages, ML in electrochemical battery includes dynamic thermal/ electrical behavior, battery sizing and optimization, state-of-charge prediction, battery lifetime estimation, fault detection and diagnosis analysis. ML in sensible energy storages mainly include load prediction and storage capacity sizing, dynami

关键词： Machine learning Renewable energy Energy storage Demand-side management Dynamic power Dispatch Techno-economic-environmental performance

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Artificial intelligence in renewable systems for transformation towards intelligent buildings

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Energy and AI 2022年第4期10卷 171-189页

Carbon-neutrality transition in building sectors requires combinations of renewable systems and artificial intelligence (AI) for robustness, reliability, automation, and flexibility. In this study, a comprehensive review on AI applications in renewable systems, have been conducted, to report the current progress, tendency and challenges. Underlying learning mechanisms of AI-based various applications have been studied, in terms of modelling techniques on solar power forecasting, multi-level stochastic uncertainty analysis, smart controls, fault detection and diagnosis, single and multi-objective optimisations and intelligent buildings. Furthermore, AI techniques in renewable energy utilisations have been clearly reviewed, with respect to solar potential evaluation, multi-level stochastic uncertainty analysis, smart controls, fault detection and diagnosis, single and multi-objective optimisations. Results showed that, compared to physical models, the data-driven models show superiority in modelling simplification and modification, high prediction accuracy, and computational efficiency. In order to improve the system operational robustness under multi-level scenario uncertainty, a generic approach with artificial intelligence was proposed, including nonlinear data-driven model development, uncertainty-based energy performance prediction, stochastic uncertainty and statistical analysis. Furthermore, artificial intelligence can also be applied in renewable systems for security, reliability and stability. This study provides a clear roadmap on historical development, recent advances, cutting-edge techniques and progress, and future challenges of AI applications in renewable energy systems, paving path for developing smart and resilient renewable energy systems for decarbonization in buildings.

关键词： Renewable Energy Power Forecasting Fault Detection and Diagnosis Multi-objective Optimisation Machine Learning

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Advanced 2D molybdenum disulfide for green hydrogen production: Recent progress and future perspectives

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Frontiers in Energy 2024年第3期18卷 308-329页

作者： Meng FANG Yuqin PENG Puwei WU Huan WANG Lixin XING Ning WANG Chunmei TANG Ling MENG Yuekuan ZHOU Lei DU Siyu YE Huangpu Hydrogen Energy Innovation Centre School of Chemistry and Chemical EngineeringGuangzhou UniversityGuangzhou 510006China Sustainable Energy and Environment Thrust Function HubThe Hong Kong University of Science and Technology(Guangzhou)Guangzhou 511400China Department of Mechanical and Aerospace Engineering The Hong Kong University of Science and TechnologyHong KongChina SinoHykey Technology Company Ltd. Guangzhou 510760China

The development of renewable and affordable energy is crucial for building a sustainable society. In this context, establishing a sustainable infrastructure for renewable energy requires the integration of energy storage, specifically use of renewable hydrogen. The hydrogen evolution reaction (HER) of electrochemical water splitting is a promising method for producing green hydrogen. Recently, two-dimensional nanomaterials have shown great promise in promoting the HER in terms of both fundamental research and practical applications due to their high specific surface areas and tunable electronic properties. Among them, molybdenum disulfide (MoS2), a non-noble metal catalyst, has emerged as a promising alternative to replace expensive platinum-based catalysts for the HER because MoS_(2)has a high inherent activity, low cost, and abundant reserves. At present, greatly improved activity and stability are urgently needed for MoS_(2)to enable wide deployment of water electrolysis devices. In this regard, efficient strategies for precisely modifying MoS_(2)are of interest. Herein, the progress made with MoS_(2)as an HER catalyst is reviewed, with a focus on modification strategies, including phase engineering, morphology design, defect engineering, heteroatom doping, and heterostructure construction. It is believed that these strategies will be helpful in designing and developing high-performance and low-cost MoS2-based catalysts by lowering the charge transfer barrier, increasing the active site density, and optimizing the surface hydrophilicity. In addition, the challenges of MoS_(2)electrocatalysts and perspectives for future research and development of these catalysts are discussed.

关键词： molybdenum disulfide(MoS_(2)) hydrogen evolution reaction(HER) active site electrocatalyst modification strategie

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Prospects and applications of on-chip lasers

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eLight 2023年第1期3卷 297-321页

作者： Zhican Zhou Xiangpeng Ou Yuetong Fang Emad Alkhazraji Renjing Xu Yating Wan John E.Bowers Integrated Photonics Lab King Abdullah University of Science and TechnologyThuwalMakkah ProvinceSaudi Arabia function hub The Hong Kong University of Science and Technology(Guangzhou)GuangdongChina Institute for Energy Efficiency University of CaliforniaSanta BarbaraSanta BarbaraCA 93106USA

Integrated silicon photonics has sparked a significant ramp-up of investment in both academia and industry as a scalable,power-efficient,and eco-friendly *** the heart of this platform is the light source,which in itself,has been the focus of research and development *** paper sheds light and conveys our perspective on the current state-of-the-art in different aspects of application-driven on-chip silicon *** tackle this from two perspectives:device-level and system-wide points of *** the former,the different routes taken in integrating on-chip lasers are explored from different material systems to the chosen integration ***,the discussion focus is shifted towards system-wide applications that show great prospects in incorporating photonic integrated circuits(PIC)with on-chip lasers and active devices,namely,optical communications and interconnects,optical phased array-based LiDAR,sensors for chemical and biological analysis,integrated quantum technologies,and finally,optical *** leveraging the myriad inherent attractive features of integrated silicon photonics,this paper aims to inspire further development in incorporating PICs with on-chip lasers in,but not limited to,these applications for substantial performance gains,green solutions,and mass production.

关键词： On-chip lasers Silicon photonics Photonic integration Communication LiDAR Optical computing

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Low-carbon transition in smart city with sustainable airport energy ecosystems and hydrogen-based renewable-grid-storage-flexibility

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Energy Reviews 2022年第1期1卷 67-82页

Hybrid renewable integration,electrification,hydrogenation,spatiotemporal energy sharing and migration,and optimisations are necessary roadmaps for the transition towards low-carbon airport transportation *** this study,a comprehensive review on sustainable airport energy ecosystems with hydrogen-based renewable-gridstorage-flexibility,has been conducted,from perspectives of airport energy ecosystem constitutions,renewable supported power supply chain,novel spatiotemporal energy migration paradigms,single and multi-objective optimisations,together with multi-criteria decision-making *** in jet aircraft systems has various advantages,such as lightweight with low fuel transportation load,high specific energy,zero CO_(2) emissions,and low NOx emissions,reduced air pollution,and environmental *** on different energy sources,liquid hydrogen(LH2)can be produced by solar energy,wind energy,coastal ocean energy,and bioenergy,through chemical technologies and water electrolysis from renewable *** operation between land and air transportation systems can promote net-zero *** energy interaction frameworks have been formulated,for inter-city/inter-country energy sharing and trading,spatiotemporal compensation on uneven distributed renewable energy resources,and high penetration of *** showed that power characteristics in airport energy systems include lightweight,high-energy density,energyintensive,fast power response,safety,stochastic,nonlinear,and *** energy resources are full of huge potentials to support airport energy systems,through off-shore wind turbines,floating PV panels,current turbines,wave energy converters,tidal stream generators,and ocean thermo-electric *** results can provide conceptional frameworks,prospects,and technical challenges,on electrification and hydrogenation in both land and air transportation sectors,paving path for transition towa

关键词： Aircraft Renewable energy Electrification Hydrogenation Spatiotemporal energy sharing and migration Optimisation Carbon neutrality

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Ocean energy applications for coastal communities with artificial intelligence–a state-of-the-art review

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Energy and AI 2022年第4期10卷 218-241页

Ocean energy plays essential roles in reducing carbon emission and transforming towards carbon neutrality, with cleaner power production, whereas the vertical cascade ocean energy systems with spatiotemporal power supply characteristics might lead to fluctuated power frequency, disruptive disturbance and grid shock. Hybrid renewable energy dispatch, coordinated demand-side management, and electrical energy storages for grid ancillary services provision with different response time-durations are effective solutions to integrate ocean energy with stable and grid-friendly operation. This study is to review advanced ocean energy converters with thermodynamic, hydrodynamic, aerodynamic, and mechanical principles. Power supply characteristics from multi-diversified ocean energy resources are analysed, with intermittency, fluctuation, and spatiotemporal uneven distribution. Hybrid ocean energy storages with synergies are reviewed to overcome the intermittency and provide grid ancillary services, including pumped hydroelectric energy storage, ocean compressed air energy storage, and ocean hydrogen-based storage in different response time durations. Applications of diversified ocean energy systems for coastal residential communities are reviewed, with energy management and controls, collaboration on multi-carrier energy networks. Furthermore, application of artificial intelligence is reviewed for sustainable and smart ocean energy systems. Results indicated that, effective strategies for stable and gridfriendly operations mainly include complementary hybrid renewable system integrations, synergies on hybrid thermal/electrical storages, and collaboration on multi-carrier energy networks. Furthermore, depending on the geographical location, flexible on-shore and off-shore installation of transformers can provide large-scale ocean energy system integrations for long-distance transmission, with low transmission losses, low resistive losses, and simple system configuration. Res

关键词： Ocean energy District residential community Energy conversion,storage and management Multi-energy synergies Techno-economic-environmental performance

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2.5μm-Thick Ultrastrong Asymmetric Separator for Stable Lithium Metal Batteries

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Energy & Environmental Materials 2024年第6期7卷 106-117页

作者： Donghao Xie Zekun Wang Xin Ma Yuchen Feng Xiaomin Tang Qiao Gu Yonghong Deng Ping Gao Advanced Materials Thrust Interdisciplinary OfficeThe Hong Kong University of Science and TechnologyClear Water BayHong Kong999077 China Department of Chemical and Biological Engineering The Hong Kong University of Science and TechnologyClear Water BayHong Kong 999077China Advanced Materials Thrust Function HubThe Hong Kong University of Science and Technology(Guangzhou)Nansha DistrictGuangzhou 511453China Department of Materials Science and Engineering Southern University of Science and TechnologyShenzhen 518055China

Lithium metal batteries(LMBs)are considered the ideal choice for high volumetric energy density lithium-ion batteries,but uncontrolled lithium deposition poses a significant challenge to the stability of such *** this paper,we introduce a 2.5μm-thick asymmetric and ultrastrong separator,which can induce tissue-like lithium *** asymmetric separator,denoted by utPE@Cu_(2)O,was prepared by selective synthesis of Cu_(2)O nanoparticles on one of the outer surfaces of a nanofibrous(diameter~10 nm)ultrastrong ultrahigh molecular weight polyethylene(UHMWPE)*** analysis shows that the lithium deposits have tissue-like morphology,resulting in the symmetric lithium cells assembled using utPE@Cu_(2)O with symmetric Cu_(2)O coating exhibiting stable performance for over 2000 h of *** work demonstrates the feasibility of a facile approach ultrathin separators for the deployment of lithium metal batteries,providing a pathway towards enhanced battery performance and safety.

关键词： in situ SEI lithium deposition regulation separator ultrastrong ultrathin

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Van der Waals materials-based floating gate memory for neuromorphic computing

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Chip 2023年第4期2卷 27-44页

作者： Qianyu Zhang Zirui Zhang Ce Li Renjing Xu Dongliang Yang Linfeng Sun Centre for Quantum Physics Key Laboratory of Advanced Optoelectronic Quan-tum Architecture and Measurement(MOE)School of PhysicsBeijing Institute of TechnologyBeijing 100081China Beijing Key Lab of Nanophotonics&Ultra-fine Optoelectronic Systems School of PhysicsBeijing Institute of TechnologyBeijing 100081China Thrust of Microelectronics of function hub The Hong Kong University of Science and Technology(Guangzhou)Guangzhou 511400China

With the advent of the“Big Data Era”,improving data storage density and computation speed has become more and more urgent due to the rapid growth in different types of *** memory with a floating gate(FG)structure is attracting great attention owing to its advantages of miniaturization,low power consumption and reli-able data storage,which is very effective in solving the problems of large data capacity and high integration ***,the FG memory with charge storage principle can simulate synaptic plasticity perfectly,breaking the traditional von Neumann computing ar-chitecture and can be used as an artificial synapse for neuromorphic computations inspired by the human *** many candidate materials for manufacturing devices,van der Waals(vdW)materials have attracted widespread attention due to their atomic thickness,high mobility,and sustainable miniaturization *** to the arbitrary stacking ability,vdW heterostructure combines rich physics and potential 3D integration,opening up various possibilities for new functional integrated devices with low power consumption and flexible *** paper provides a comprehensive review of memory devices based on vdW materials with FG structure,including the working principles and typical structures of FG structure devices,with a focus on the introduction of various highperformance FG memories and their versatile applications in neuro-morphic ***,the challenges of neuromorphic devices based on FG structures are also *** review will shed light on the design and fabrication of vdW material-based memory devices with FG engineering,helping to promote the development of practical and promising neuromorphic computing.

关键词： Van der Waals materials Floating gate memory Memristor Neuromorphic computing

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The future of feed formulation for poultry:Toward more sustainable production of meat and eggs

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Animal Nutrition 2023年第4期15卷 71-87页

作者： Gene M.Pesti Mingan Choct Poultry hub Australia ArmidaleNSW 2351Australia The University of Georgia AthensGA 30602USA The University of New England ArmidaleNSW 2351Australia

Current methods for feed formulation are based on minimizing costs,not maximizing *** models of bird growth and reproduction as functions of genetic,feed and other environmental variables are being developed,but their adaptation has been *** development of profit maximizing models will evolve to center on the production functions of broilers and *** production functions are the relationship between the value of products(mainly meat and eggs)and the cost of *** production function is the tool used to maximize profits subject to all the various inputs,not just feed or *** production function is subject to the law of diminishing *** most profitable output levels are those where the marginal value(price)of the meat or eggs is just equal to the marginal cost of the inputs including feed,housing,processing and all other *** that affects the production function,bird genetics,feed quality,housing and environment,will be considered to maximize profits for the poultry *** profit maximizing models of poultry firms will improve as various technical improvements are made:metabolizable energy to describe ingredients will evolve to net energy systems that consider that the heat production(and therefore energetic efficiency)of broilers is different depending on the ingredients used to formulate the feed and the environmental temperatures under which they are *** acid needs will include a method to find the birds’needs for the nonessential amino acids.“Digestible”amino acid assays will differentiate between digestion and absorption to best balance various *** carbohydrate fractions of feed ingredients will be determined to optimize the use of exogenous *** value of meat and egg co-products will reduce overall costs(e.g.,organic fertilizer for crop enhancement).Future profit maximizing production models will be ever evolving processes where field conditions and results are continually being utiliz

关键词： Feed formulation Linear programming Non-linear Programming Econometrics

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