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Insights into the role of oxygen-containing functional groups on carbon surface in water–electricity generation

Nano Research 2024年第7期17卷 6645-6653页

作者： Wan Xue Zongbin Zhao Honghui Bi Bolun Zhang Xuzhen Wang Jieshan Qiu state key laboratory of Fine Chemicals Liaoning Key Laboratory for Energy Materials and Chemical EngineeringSchool of Chemical EngineeringDalian University of TechnologyDalian 116024China state key laboratory of Fine Chemicals Liaoning Key Laboratory for Energy Materials and Chemical EngineeringSchool of ChemistryDalian University of TechnologyDalian 116024China state key laboratory of Chemical Resource engineering College of Chemical EngineeringBeijing University of Chemical TechnologyBeijing 100029China

A deep understanding of the electricity generation mechanism from the interaction between water molecules and carbon material surfaces is attractive for next-generation water-based energy conversion and storage ***,an asymmetric generator was assembled based on functionalized carbon nanotubes films to investigate the relative contribution from various oxygen functional groups on carbon surface to the water-electrical *** and calculations demonstrate that the electricity mainly originates from the water molecule adsorption by carboxyl groups and dissociation of functional groups on carbon surface,which leads to the formation of electrical double layers at *** device allows the electricity generation with a variety of water sources,such as deionized water,tap water,as well as *** particular,the generator based on carboxyl carbon nanotubes can induce a voltage of over 200 mV spontaneously in natural seawater with the power density of about 0.11 mW·g^(−1).High voltages can be achieved easily through the series-connection strategy to power electronic products such as a liquid crystal *** work reveals the dominant role of carboxyl groups in carbon-based water–electricity conversion and is expected to offer inspiration for the preparation of carbon materials with high electrical performance.

关键词： electricity generation water adsorption dissociation carboxyl groups carbon nanotubes

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Microfluidic-oriented synthesis of enriched iridium nanodots/carbon architecture for robust electrocatalytic nitrogen fixation

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Green Energy & Environment 2024年第3期9卷 544-555页

作者： Hengyuan Liu Xingjiang Wu Yuhao Geng Xin Li Jianhong Xu The state key laboratory of Chemical engineering Department of Chemical EngineeringTsinghua UniversityBeijing100084China

Electrocatalytic nitrogen reduction reaction(NRR)is considered as a promising candidate to achieve ammonia synthesis because of clean electric energy,moderate reaction condition,safe operating process and harmless ***,the chemical inertness of nitrogen and poor activated capacity on catalyst surface usually produce low ammonia yield and faradic ***,the microfluidic technology is proposed to efficiently fabricate enriched iridium nanodots/carbon *** to in-situ co-precipitation reaction and microfluidic manipulation,the iridium nanodots/carbon nanomaterials possess small average size,uniform dispersion,high conductivity and abundant active sites,producing good proton activation and rapid electrons transmission and moderate adsorption/desorption *** a result,the as-prepared iridium nanodots/carbon nanomaterials realize large ammonia yield of 28.73 μg h^(-1) cm^(-2) and faradic efficiency of 9.14%in KOH ***,the high ammonia yield of 11.21 μg h^(-1) cm^(-2) and faradic efficiency of 24.30%are also achieved in H_(2)SO_(4) *** microfluidic method provides a reference for large-scale fabrication of nano-sized catalyst materials,which may accelerate the progress of electrocatalytic NRR in industrialization field.

关键词： Iridium nanodots Carbon Microfluidic technology Efficient synthesis Electrocatalytic nitrogen fixation

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Preparation of Self-limiting Heating Cables with Excellent Processability, Mechanical Properties and PTC Effect via Thermal and Electrical Treatments

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Chinese Journal of Polymer Science 2024年第4期42卷 511-520页

作者： Tian-Hao Yang Tong Wu Qiang Fu state key laboratory of Polymer Materials engineering College of Polymer Science and EngineeringSichuan UniversityChengdu610065China state key laboratory of Polymer Materials engineering Polymer Research Institute of Sichuan UniversityChengdu610065China

Polymer/conductive filler composites have been widely used for the preparation of self-limiting heating cables with the positive temperature coefficient (PTC) effect. The control of conductive filler distribution and network in polymer matrix is the most critical for performance of PTC materials. In order to compensate for the destruction of the filler network structure caused by strong shearing during processing, an excessive conductive filler content is usually added into the polymer matrix, which in turn sacrifices its processability and mechanical properties. In this work, a facile post-treatment of the as-extruded cable, including thermal and electrical treatment to produce high-density polyethylene (HDPE)/carbon black (CB) cable with excellent PTC effect, is developed. It is found for the as-extruded sample, the strong shearing makes the CB particles disperse uniformly in HDPE matrix, and 25 wt% CB is needed for the formation of conductive paths. For the thermal-treated sample, a gradually aggregated CB filler structure is observed, which leads to the improvement of PTC effect and the notable reduction of CB content to 20 wt%. It is very interesting to see that for the sample with combined thermal and electrical treatment, CB particles are agglomerated and oriented along the electric field direction to create substantial conductive paths, which leads to a further decrease of CB content down to 15 wt%. In this way, self-limiting heating cables with excellent processability, mechanical properties and PTC effect have simultaneously been achieved.

关键词： Self-limiting heating cables Positive temperature coefficient Thermal treatment Electrical treatment

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Controllable Ring-opening Polymerization ofδ-Valerolactone Catalyzed by Quinolinyl-Urea/MTBD Systems

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Chinese Journal of Polymer Science 2024年第8期42卷 1103-1110页

作者： Xin-Yu Liu Liang Zhu Su-Yun Jie Bo-Geng Li state key laboratory of Chemical engineering College of Chemical and Biological EngineeringZhejiang UniversityHangzhou 310058China

Due to their excellent biocompatibility and biodegradability,aliphatic polyesters are widely used in the biomedical,packaging and agricultural fields,which are usually accessed by the ring-opening polymerization(ROP)of lactones and the catalysts particularly play an important *** a series of quinolinyl-urea catalysts have been synthesized via the reaction between isocyanate and aminoquinoline with an amino group at different substitution positions and *** combination with 7-methyl-1,5,7-triazabicyclo[4,4,0]dec-5-ene(MTBD)as a cocatalyst and benzyl alcohol(BnOH)as an initiator,1-(3,5-bis(trifluoromethyl)phenyl)-3-(quinolin-3-yl)urea(3-QU)was observed to be most active for the ROP ofδ-valerolactone(δ-VL).The polymerization conditions were optimized by varying the type of organic base,catalyst concentration and reaction *** changing the ratio of[M]_0/[I],linear polyvalerolactones(PVLs)with different molecular weights and narrow molecular weight distribution were *** kinetic and chain extension experiments were carried out to prove the"living"/controllable *** the NMR experiments were used to support the proposal of possible mechanism.

关键词： Quinolinyl-urea Ring-opening polymerization PVL

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Micelle-directed self-assembly of single-crystal-like mesoporous stoichiometric oxides for high-performance lithium storage

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National Science Review 2024年第4期11卷 195-205页

作者： Yanhua Wan Changyao Wang Xingmiao Zhang Yang Yin Mengmeng Liu Bing Ma Linlin Duan Yuzhu Ma Wei Zhang Changlin Zheng Dongliang Chao Fei Wang Yongyao Xia Wei Li Department of Chemistry Laboratory of Advanced Materials Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials State Key Laboratory of Molecular Engineering of Polymers College of Chemistry and Materials ScienceFudan University state key laboratory of Surface Physics and Department of Physics Fudan University

Due to their uncontrollable assembly and crystallization process,the synthesis of mesoporous metal oxide single crystals remains a formidable ***,we report the synthesis of single-crystal-like mesoporous Li2TiSiO5by using soft micelles as *** key lies in the atomic-scale self-assembly and step-crystallization processes,which ensure the formation of single-crystal-like mesoporous Li2TiSiO5microparticles via an oriented attachment growth mechanism under the confinement of an in-situ formed carbon *** mesoporous Li2TiSiO5anode achieves a superior rate capability(148 mAh g-1at5.0 A g-1) and outstanding long-term cycling stability(138 mAh g-1after 3000 cycles at 2.0 A g-1) for lithium storage as a result of the ultrafast Li+diffusion caused by penetrating mesochannels and nanosized crystal frameworks（5-10 nm）.In comparison,bulk Li2TiSiO5exhibits poor rate capability and cycle performance due to micron-scale diffusion *** method is very simple and reproducible,heralding a new way of designing and synthesizing mesoporous single crystals with controllable frameworks and chemical functionalities.

关键词： mesoporous materials micelles single-crystal-like Li2TiSiO5 lithium-ion batteries

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3D coarse-grained DPM simulation of the MIP reaction-regeneration loop

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Particuology 2024年第6期89卷 57-66页

作者： Yanhao Ye Shuai Zhang Ji Xu Wei Ge state key laboratory of Mesoscience and engineering(formerly state key laboratory of Multiphase Complex Systems) Institute of Process EngineeringChinese Academy of SciencesBeijing100190China School of Chemical engineering University of Chinese Academy of SciencesBeijing100049China

The reactor-regenerator loop is the core facility of the maximizing iso-paraffin(MIP)*** the discrete particle method(DPM)simulation can provide detailed information at the particle scale,it has been unable to simulate such a complex loop system due to limitations of coarse-grained(CG)models,computing software,and *** this study,a newly proposed soft-shell CG-DPM model with a CG ratio of up to 800 is used to simulate a 3.5 Mt/a industrial-scale MIP reactor-regenerator *** solid fraction distribution obtained is found to agree well with in-situ *** properties including the distribution of solid fraction,gas and solid velocity,standard derivation of solid fraction with time,temporal distribution of the flow field,and particle residence time distribution are measured in the simulation,which are meaningful to better design and operate such systems in the future.

关键词： Discrete particle method Coarse-grain Maximizing iso-paraffins Full-loop Reaction-regeneration system

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High-Efficiency Dynamic Scanning Strategy for Powder Bed Fusion by Controlling Temperature Field of the Heat-Affected Zone

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Chinese Journal of Mechanical engineering 2024年第1期37卷 203-214页

作者： Xiaokang Huang Xiaoyong Tian Qi Zhong Shunwen He Cunbao Huo Yi Cao Zhiqiang Tong Dichen Li state key laboratory of Manufacturing Systems engineering Xi’an Jiaotong UniversityXian 710049China

Improvement of fabrication efficiency and part performance was the main challenge for the large-scale powder bed fusion(PBF)*** this study,a dynamic monitoring and feedback system of powder bed temperature field using an infrared thermal imager has been established and integrated into a four-laser PBF equipment with a working area of 2000 mm×2000 *** heat-affected zone(HAZ)temperature field has been controlled by adjusting the scanning speed ***,the relationship among spot size,HAZ temperature,and part performance has been *** fluctuation of the HAZ temperature in four-laser scanning areas was decreased from 30.85℃to 17.41℃.Thus,the consistency of the sintering performance of the produced large component has been *** on the controllable temperature field,a dynamically adjusting strategy for laser spot size was proposed,by which the fabrication efficiency was improved up to 65.38%.The current research results were of great significance to the further industrial applications of large-scale PBF equipment.

关键词： Powder bed fusion Efficiency Large-scale Spot size Heat-affected zone(HAZ)

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Simulation of roof snow loads based on a multi-layer snowmelt model:Impact of building heat transfer

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Building Simulation 2024年第6期17卷 907-932页

作者： Xuanyi Zhou Heng Chen Yue Wu Tiange Zhang state key laboratory of Disaster Reduction in Civil engineering Tongji UniversityShanghai200092China

To investigate the impact of building heat transfer on roof snow loads,roof snow loads and snow load thermal coefficients from 61 Chinese sites over a period of 50 years are simulated based on basic meteorological data such as temperature,humidity,wind speed,and precipitation,and a multi-layer snowmelt model considering the building heat ***,the accuracy of the multi-layer snowmelt model is validated using the data of observed ground snow load and roof snow melting *** relationship between meteorological conditions,snow cover characteristics,and thermal coefficients of snow loads in three representative sites is then ***,the characteristics of thermal coefficients in each zone are analyzed by combining them with the statistical results of meteorological data from 1960 to 2010,and the equations of thermal coefficients in different zones on indoor temperatures and roof heat transfer coefficients are fitted ***,the equations in this paper are compared with the thermal coefficients in the main snow load *** results indicate that the snowmelt model using basic meteorological data can effectively provide samples of roof snow *** the cold zone where the snow cover lasts for a long time and does not melt easily,the thermal coefficients of the snow loads on the heating buildings are lower than those in the warm zone due to the long-term influence of the heat from inside the *** coefficients are negatively correlated with indoor temperatures and roof heat transfer *** the indoor temperature is too low or the roof insulation is good,the roof snow load may exceed the ground snow *** thermal coefficients for heated buildings in the main snow load codes are more conservative than those calculated in this paper,and the thermal coefficients for buildings with lower indoor temperatures tend to be smaller.

关键词： snowmelt model roof snow load building heat transfer thermal coefficient load code

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Process in laser drilling of deep microholes without taper on metal materials

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Science China(Technological Sciences) 2024年第1期67卷 37-59页

作者： FAN RunZe MEI XueSong CUI JianLei state key laboratory for Manufacturing Systems engineering Xi’an Jiaotong UniversityXi’an 710054China

Deep microhole machining is currently a prominent research area within the aerospace field,encompassing blade film cooling and fuel injection control ***,taper defects in metal materials may lead to performance degradation or even structural damage over a component’s *** and helical drilling,facilitated by ultrashort pulse lasers,have proven more suitable for achieving high-precision,deep holes in metal ***,excessive repetition rates can also result in severe thermal *** methods are commonly employed for controlling taper,including parameter optimization,assistance,and secondary *** laser beam drilling is widely utilized and has been integrated into relevant machining systems for commercial *** deep microholes include film cooling holes and injection *** drilling is a potential machining method for new materials in the aerospace *** laser drilling processing has been studied,numerous related scientific challenges and technical difficulties must be addressed before practical implementation.

关键词： aerospace laser drilling deep microhole taper control

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Building a domain-specific compiler for emerging processors with a reusable approach

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Science China(Information Sciences) 2024年第1期67卷 20-38页

作者： Mingzhen LI Yi LIU Bangduo CHEN Hailong YANG Zhongzhi LUAN Depei QIAN state key laboratory of Software Development Environment School of Computer Science and engineering Beihang University

High-performance computing and deep learning domains have been motivating the design of domain-specific *** these processors can provide promising computation capability,they are notorious for exotic programming *** improve programming productivity and fully exploit the performance potential of these processors,domain-specific compilers(DSCs) have been ***,building DSCs for emerging processors requires tremendous engineering efforts because the commonly used compilation stack is difficult to be *** to the advent of multilevel intermediate representation(MLIR),DSC developers can leverage reusable infrastructure to extend their customized functionalities without rebuilding the entire compilation *** this paper,we further demonstrate the effectiveness of MLIR by extending its reusable infrastructure to embrace a heterogeneous many-core processor(Sunway processor).In particular,we design a new Sunway dialect and corresponding backend for the Sunway processor,fully exploiting its architectural advantage and hiding its programming *** show the ease of building a DSC,we leverage the Sunway dialect and existing MLIR dialects to build a stencil compiler for the Sunway *** experimental results show that our stencil compiler,built with a reusable approach,can even perform better than state-of-the-art stencil compilers.

关键词： domain-specific compiler emerging processor reusable dialect performance optimization MLIR

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