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

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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Bimetallic NiCoP catalysts anchored on phosphorus-doped lignin-based carbon for robust oxygen evolution performance

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Rare Metals 2024年第7期43卷 3084-3095页

作者： Ling-Ying-Zi Xiong Bo-Wen Liu Lei Du Yue-Kuan Zhou Xu-Liang Lin Huan Wang Guangdong engineering Technology Research center for Sensing Materials&Devices Guangzhou Key Laboratory of Sensing Materials&DevicesSchool of Chemistry and Chemical EngineeringGuangzhou UniversityGuangzhou 510006China School of Chemical engineering and Light Industry Guangdong University of TechnologyGuangzhou 510006China Guangdong Provincial Laboratory of Chemistry and Fine Chemical engineering Jieyang center Jieyang 515200China Sustainable energy and environment Thrust Function HubThe Hong Kong University of Science and Technology(Guangzhou)Guangzhou 511400China Division of Emerging Interdisciplinary Areas Department of Mechanical and Aerospace EngineeringThe Hong Kong University of Science and TechnologyHong Kong 999077China State Key Lab of Pulp and Paper engineering South China University of TechnologyGuangzhou 510640China

Oxygen evolution reaction(OER)catalysts are the key core materials that determine the performance of fuel cells,metal-air batteries,electrolytic water decomposition,and other *** this work,a green lignin-based non-precious metal OER catalyst was prepared by a simple ***,c arboxylated lignin was used to complex Ni and Co in situ,and then they were placed with sodium hypophosphite in the same tube furnace for upstream and downstream high-temperature calcination to construct a lignin carbon-based Ni-Co bimetallic OER catalyst(NiCoP@C).The synthesized catalyst is a porous bimetallic phosphide with a three-dimensional network structure and high-density electrochemical active ***@C exhibited favorable catalytic activity for the oxygen evolution reaction(OER)with overpotential of 280 mV at 10 mA·cm~(-2)and a Tafel slope of 77 mV·dec~(-1).Additionally,it exhibited remarkable durability during *** functional theory(DFT)calculations revealed that by leveraging the distinctive structure of transition metal phosphide nanoparticles incorporated into a reticulated substrate,the NiCoP@C catalyst offered an increased number of active sites for OER catalysis,significantly enhancing its stability during practical *** present study broadens the utilization pathways of biomass to"turn waste into treasure,"aligning the development concept of green sustainable development.

关键词： Oxygen evolution reaction Lignin Carbon-based catalyst Nickel-cobalt bimetal Metal phosphide

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Mechanistic modeling of copper corrosions in data center environments

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Building Simulation 2024年第3期17卷 483-492页

作者： Rui Zhang Jianshun Zhang Roger Schmidt Jeremy L.Gilbert department of mechanical and aerospace engineering College of Engineering and Computer ScienceSyracuse UniversitySyracuseNY13244USA Buildings and Transportation Science Division Oak Ridge National LaboratoryOak RidgeTN37830USA SyracuseCoE-New York center of Excellence in environmental and energy Systems Syracuse University727 E.Washington StreetSyracuseNY13244USA department of Bioengineering Clemson UniversityClemson-Medical University of South Carolina Bioengineering ProgramCharlestonSC29425USA

Air-side economizers are increasingly used to take advantage of“free-cooling”in data centers with the intent of reducing the carbon footprint of ***,they can introduce outdoor pollutants to indoor environment of data centers and cause corrosion damage to the information technology *** evaluate the reliability of information technology equipment under various thermal and air-pollution conditions,a mechanistic model based on multi-ion transport and chemical reactions was *** model was used to predict Cu corrosion caused by Cl_(2)-containing pollutant *** also accounted for the effects of temperature(25℃and 28℃),relative humidity(50%,75%,and 95%),and *** also identified higher air temperature as a corrosion barrier and higher relative humidity as a corrosion accelerator,which agreed well with the experimental *** average root mean square error of the prediction was 13.7Å.The model can be used to evaluate the thermal guideline for data centers design and operation when Cl_(2)is present based on pre-established acceptable risk of corrosion in data centers’environment.

关键词： chloride pollutant mixture copper corrosion model data center temperature relative humidity synergistic effect

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Recent innovations in laser additive manufacturing of titanium alloys

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International Journal of Extreme Manufacturing 2024年第3期6卷 2-37页

作者： Jinlong Su Fulin Jiang Jie Teng Lequn Chen Ming Yan Guillermo Requena Lai-Chang Zhang Y Morris Wang Ilya V Okulov Hongmei Zhu Chaolin Tan College of Materials Science and engineering Hunan UniversityChangsha 410082People’s Republic of China Singapore Institute of Manufacturing Technology(SIM Tech) Agency for ScienceTechnology and Research(A∗STAR)5 Cleantech LoopSingapore 636732Singapore department of Materials Science and engineering Southern University of Science and TechnologyShenzhen 518055People’s Republic of China Institute of Materials Research German Aerospace Center(DLR)Linder Höhe51147 CologneGermany Centre for Advanced Materials and Manufacturing Edith Cowan University270 Joondalup DriveJoondalupPerthWestern Australia 6027Australia department of Materials Science and engineering University of CaliforniaLos AngelesCA 900095United States of America Leibniz Institute for Materials engineering-IWT Badgasteiner Str.328359 BremenGermany Faculty of Production engineering University of BremenBadgasteiner Str.128359 BremenGermany Key Laboratory of Hunan Province of Equipment Safety Service Technology under Extreme environment University of South ChinaHengyangPeople’s Republic of China RWTH Aachen University Metallic Structures and Materials Systems for Aerospace EngineeringD-52062 AachenGermany

Titanium(Ti)alloys are widely used in high-tech fields like aerospace and biomedical *** additive manufacturing(LAM),as an innovative technology,is the key driver for the development of Ti *** the significant advancements in LAM of Ti alloys,there remain challenges that need further research and development *** recap the potential of LAM high-performance Ti alloy,this article systematically reviews LAM Ti alloys with up-to-date information on process,materials,and *** feasible solutions to advance LAM Ti alloys are reviewed,including intelligent process parameters optimization,LAM process innovation with auxiliary fields and novel Ti alloys customization for *** auxiliary energy fields(***,acoustic,mechanical deformation and magnetic fields)can affect the melt pool dynamics and solidification behaviour during LAM of Ti alloys,altering microstructures and mechanical *** kinds of novel Ti alloys customized for LAM,like peritecticα-Ti,eutectoid(α+β)-Ti,hybrid(α+β)-Ti,isomorphousβ-Ti and eutecticβ-Ti alloys are reviewed in ***,machine learning in accelerating the LAM process optimization and new materials development is also *** review summarizes the material properties and performance envelops and benchmarks the research achievements in LAM of Ti *** addition,the perspectives and further trends in LAM of Ti alloys are also highlighted.

关键词： additive manufacturing titanium alloys auxiliary field machine learning aerospace materials lightweight materials novel alloys

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Fabricating bio-inspired high impact resistance carbon nanotube network films for multi-protection under an extreme environment

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Nano Research 2024年第9期17卷 7793-7802页

作者： Mingquan Zhu Kailu Xiao Wei Zhang Xudong Lei Yunxiang Bai Shijun Wang Peng Zhang Feng Gao Congying Wang Wenqiang Xu Huiyong Li Xianqian Wu Chao Wang Hui Zhang Luqi Liu Zhong Zhang CAS Key Laboratory of Nanosystem and Hierarchical Fabrication CAS Center for Excellence in NanoscienceNational Center for Nanoscience and TechnologyBeijing 100190China University of Chinese Academy of Sciences Beijing 100049China department of Materials Science and engineering Texas A&M UniversityCollege StationTexas 77840USA Institute of Mechanics Chinese Academy of SciencesBeijing 100190China School of Astronautics Harbin Institute of TechnologyHarbin150001China CAS Key Laboratory of mechanical Behavior and Design of Materials Department of Modern MechanicsUniversity of Science and Technology of ChinaHefei 230027China

The fabrication of light-weight,highly impact-resistant,and energy-absorbent materials is urgently demanded in many facets of the society from body armor to aerospace engineering,especially under an extreme *** nanotubes(CNTs),one of the strongest and toughest materials ever found,also have good conductivity,chemical stability,and thermal stability,etc,making them a competitive candidate as building blocks to help achieve the above *** this work,a kind of CNT network was prepared by using chlorosulfonic acid(CSA)to release the internal stress of super-aligned carbon nanotube films(SA-CNTF)and dendritic polyamide amine(PAMAM)to further introduce multiple hydrogen bonds and interlocking *** fabricated bioinspired carbon nanotube network films(PAMAM@C-CNTF)have a high toughness of 45.97 MJ/m3,showing an increase of 420%compared to neat *** importantly,the anti-impact performance of the films(e.g.,with a maximum specific energy absorption of 1.40 MJ/kg under 80-100 m/s projectile impact)is superior to that of conventional protective materials from steel and Kevlar fiber,and also exceeds that of any other reported carbon-based *** hierarchical energy dissipation mechanism was further revealed through experiment and *** functions including intelligent heating/anti-icing,ultraviolet protection,as well as electromagnetic interference shielding properties make these network films have great potential in practical multi-protection applications,especially under an extreme environment.

关键词： carbon nanotubes composites mechanical properties multi-function

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Preconditioners and Electron Density Optimization in Orbital-Free Density Functional Theory

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Communications in Computational Physics 2012年第6期12卷 135-161页

作者： Linda Hung Chen Huang Emily A.Carter Program in Applied and ComputationalMathematics Princeton UniversityPrincetonNJ 08544USA department of Physics Princeton UniversityPrincetonNJ 08544USA department of mechanical and aerospace engineering and andlinger center for energy and the environment Princeton UniversityPrincetonNJ 08544USA

Orbital-free density functional theory(OFDFT)is a quantum mechanical method in which the energy of a material depends only on the electron density and ionic *** examine some popular algorithms for optimizing the electron density distribution in OFDFT,explaining their suitability,benchmarking their performance,and suggesting some *** start by describing the constrained optimization problem that encompasses electron density ***,we discuss the line search(including Wolfe conditions)and the nonlinear conjugate gradient and truncated Newton algorithms,as implemented in our open source OFDFT *** finally focus on preconditioners derived from OFDFT energy *** preconditioners are successful for simulation cells of all sizes without regions of low electron-density and for small simulation cells with such regions.

关键词： Density functional theory truncated Newton method conjugate gradient method constrained optimization benchmarks

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Promoting Si-graphite composite anodes with SWCNT additives for half and NCM 811 full lithium ion batteries and assessment criteria from an industrial perspective

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Frontiers in energy 2019年第4期13卷 626-635页

作者： Jingning SHAN Xiaofang YANG Chao YAN Lin CHEN Fang ZHAO Yiguang JU department of mechanical and aerospace engineering Princeton University HiT Nano IncPrinceton 08540USA department of mechanical and aerospace engineering Princeton UniversityPrinceton NJ 08544USA department of Mechatronics engineering College of Mechanical EngineeringGuangxi UniversityNanning 530004China department of Physics Princeton UniversityPrinceton NJ 08544USA

Single wall carbon nanotube(SWCNT)additives were formulated into(im-Si-graphite composite electrodes and tested in both half cells and full cells with high nickel *** critical role of small amount of SWCNT addition(0.2 wt%)was found for significantly improving delithiation capacity,first cycle coulombic efficiency(FCE),and capacity ***,Si(10 wt%)-graphite electrode exhibits 560 mAh/g delithiation capacity and 92%FCE at 0.2 C during the first chargedischarge cycle,and 91%capacity retention after 50 cycles(0.5 C)in a half *** electron microscope(SEM)was used to illustrate the electrode morphology,compositions and promoting function of the SWCNT *** addition,full cells assembled with high nickel-NCM811 cathodes and fim-Si-graphite composite anodes were evaluated for the consistence between half and full cell performance,and the consideration for potential commercial ***,criteria to assess Si-containing anodes are proposed and discussed from an industrial perspective.

关键词： lithium-ion battery Si anode Si-graphite composite single wall carbon nanotube(SWCNT) NCM811

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Physics-informed deep learning for solving phonon Boltzmann transport equation with large temperature non-equilibrium

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npj Computational Materials 2022年第1期8卷 245-254页

作者： Ruiyang Li Jian-Xun Wang Eungkyu Lee Tengfei Luo department of aerospace and mechanical engineering University of Notre DameNotre DameIN46556USA department of Electronic engineering Kyung Hee UniversityYongin-siGyeonggi-do17104South Korea department of Chemical and Biomolecular engineering University of Notre DameNotre DameIN46556USA center for Sustainable energy of Notre Dame(ND energy) University of Notre DameNotre DameIN46556USA

Phonon Boltzmann transport equation(BTE)is a key tool for modeling multiscale phonon transport,which is critical to the thermal management of miniaturized integrated circuits,but assumptions about the system temperatures(i.e.,small temperature gradients)are usually made to ensure that it is computationally *** include the effects of large temperature non-equilibrium,we demonstrate a data-free deep learning scheme,physics-informed neural network(PINN),for solving stationary,mode-resolved phonon BTE with arbitrary temperature *** scheme uses the temperature-dependent phonon relaxation times and learns the solutions in parameterized spaces with both length scale and temperature gradient treated as input *** experiments suggest that the proposed PINN can accurately predict phonon transport(from 1D to 3D)under arbitrary temperature ***,the proposed scheme shows great promise in simulating device-level phonon heat conduction efficiently and can be potentially used for thermal design.

关键词： phonon equilibrium equation

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Electrochemical hydrogen-storage capacity of graphene can achieve a carbon-hydrogen atomic ratio of 1:1

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Science China Chemistry 2022年第2期65卷 318-321页

作者： Quanfeng He Lanping Zeng Lianhuan Han Juan Peng Matthew M.Sartin Yuan-Zhi Tan Dongping Zhan Zhong-Qun Tian State Key Laboratory of Physical Chemistry of Solid Surfaces Fujian Science&Technology Innovation Laboratory for Energy Materials of ChinaEngineering Research Center of Electrochemical Technologies of Ministry of EducationGraphene Industry and Engineering Research InstituteDepartment of ChemistryCollege of Chemistry and Chemical EngineeringDepartment of Mechanical and Electrical EngineeringSchool of Aerospace EngineeringXiamen UniversityXiamen 361005China department of Chemistry College of Chemistry and Chemical EngineeringNingxia UniversityYinchuan 750021China

As a promising hydrogen-storage material,graphene is expected to have a theoretical capacity of 7.7 wt%,which means a carbon-hydrogen atomic ratio of 1:***,it has not been demonstrated yet by experiment,and the aim of the *** of energy is to achieve 5.5 wt%in *** designed a spatially-confined electrochemical system and found that the storage capacity of hydrogen adatoms on single layer graphene(SLG)is as high as 7.3 wt%,which indicates a carbon-hydrogen atomic ratio of 1:1 by considering the sp^(3) defects of ***,SLG was deposited on a large-area polycrystalline platinum(Pt)foil by chemical vapor deposition(CVD);then,a micropipette with reference electrode,counter electrode and electrolyte solution inside was impacted on the SLG/Pt foil(the working electrode)to construct the spatially-confined electrochemical *** SLG-uncovered Pt atoms act as the catalytic sites to convert protons(H^(+))to hydrogen adatoms(H_(ad)),which then spill over and are chemically adsorbed on SLG through surface diffusion during the cathodic *** the electrode processes are reversible,the H_(ad) amount can be measured by the anodic stripping *** is the first experimental evidence for the theoretically expected hydrogen-storage capacity on graphene at ambient environment,especially by using H+rather than hydrogen gas(H_(2))as the hydrogen source,which is of significance for the practical utilization of hydrogen energy.

关键词： graphene hydrogen storage surface electrochemistry adsorption desorption spillover surface diffusion

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Artificial intelligence powered large-scale renewable integrations in multi-energy systems for carbon neutrality transition: Challenges and future perspectives

能源与人工智能(英文)

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能源与人工智能(英文) 2022年第4期10卷 242-261页

作者： Zhengxuan Liu Ying Sun Chaojie Xing Jia Liu Yingdong He Yuekuan Zhou Guoqiang Zhang College of Civil engineering National Center for International Research Collaboration in Building Safety and EnvironmentHunan UniversityChangsha410082China Faculty of Architecture and the Built environment Delft University of TechnologyJulianalaan 1342628 BLDelftNetherlands energy and environment Group Department of BuildingCivil and Environmental EngineeringConcordia UniversityMontrealCanada College of Civil engineering Guangzhou UniversityGuangzhouChina department of Building environment and energy engineering The Hong Kong Polytechnic UniversityKowloonHong KongChina Guangdong Provincial Key Laboratory of Building energy Efficiency and Application Technologies Guangzhou UniversityGuangzhouChina Sustainable energy and environment Thrust Function HubThe Hong Kong University of Science and Technology(Guangzhou)Nansha511400GuangdongChina department of mechanical and aerospace engineering The Hong Kong University of Science and TechnologyClear Water BayHong Kong Special Administrative RegionChina HKUST Shenzhen-Hong Kong Collaborative Innovation Research Institute ShenzhenChina

The vigorous expansion of renewable energy as a substitute for fossil energy is the predominant route of action to achieve worldwide carbon neutrality. However, clean energy supplies in multi-energy building districts are still at the preliminary stages for energy paradigm transitions. In particular, technologies and methodologies for large-scale renewable energy integrations are still not sufficiently sophisticated, in terms of intelligent control management. Artificial intelligent (AI) techniques powered renewable energy systems can learn from bioinspired lessons and provide power systems with intelligence. However, there are few in-depth dissections and deliberations on the roles of AI techniques for large-scale integrations of renewable energy and decarbonisation in multi-energy systems. This study summarizes the commonly used AI-related approaches and discusses their functional advantages when being applied in various renewable energy sectors, as well as their functional contribution to optimizing the operational control modalities of renewable energy and improving the overall operational effectiveness. This study also presents practical applications of various AI techniques in large-scale renewable energy integration systems, and analyzes their effectiveness through theoretical explanations and diverse case studies. In addition, this study introduces limitations and challenges associated with the large-scale renewable energy integrations for carbon neutrality transition using relevant AI techniques, and proposes further promising research perspectives and recommendations. This comprehensive review ignites advanced AI techniques for large-scale renewable integrations and provides valuable informational instructions and guidelines to different stakeholders (e.g., engineers, designers and scientists) for carbon neutrality transition.

关键词： Artificial intelligent techniques Renewable energy Large-scale integration energy transition Carbon neutrality

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