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Selectivity of CO_(2)reduction reaction to CO on the graphitic edge active sites of Fe-single-atom and dual-atom catalysts:A combined DFT and microkinetic modeling

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carbon Resources Conversion 2024年第1期7卷 21-31页

作者： Ahmad Nuruddin Adhitya Gandaryus Saputro Arifin Luthfi Maulana Febdian Rusydi Fiki Taufik Akbar Hadi Teguh Yudistira Hermawan Kresno Dipojono Advanced Functional Materials research Group Faculty of Industrial TechnologyInstitut Teknologi BandungJl.Ganesha No.10Bandung 40132Indonesia research Center for Nanosciences and Nanotechnology Institut Teknologi BandungJl.Ganesha No.10Bandung 40132Indonesia research Center for Quantum Engineering Design Department of PhysicsFaculty of Science and TechnologyUniversitas AirlanggaSurabaya 60115Indonesia Theoretical High Energy Physics research division Faculty of Mathematics and Natural SciencesInstitut Teknologi BandungJl.Ganesha No.10Bandung 40132Indonesia Mechanical Engineering Study Program Institut Teknologi Sumatera(ITERA)South LampungLampungIndonesia Department of Materials Science and Engineering University of CaliforniaBerkeleyBerkeleyCA 94720United States

We study the carbon dioxide reduction reaction(CO_(2)RR)activity and selectivity of Fe single-atom catalyst(Fe-SAC)and Fe dual-atom catalyst(Fe-DAC)active sites at the interior of graphene and the edges of graphitic nanopore by using a combination of DFT calculations and microkinetic *** trend of limiting potentials for CO_(2)RR to produce CO can be described by using either the adsorption energy of COOH,CO,or their ***_(2)RR process with reasonable reaction rates can be achieved only on the active site configurations with weak tendencies toward CO *** efficiency of CO_(2)RR on a catalyst depends on its ability to suppress the parasitic hydrogen evolution reaction(HER),which is directly related to the behavior of H adsorption on the catalyst’s active *** find that the edges of the graphitic nanopore can act as potential adsorption sites for an H atom,and in some cases,the edge site can bind the H atom much stronger than the main Fe *** linear scaling between CO and H adsorptions is broken if this condition is *** condition also allows some edge active site configurations to have their CO_(2)RR limiting potential lower than the HER process favoring CO production over H2 production.

关键词： CO_(2)RR FexNy active site Fe-SAC Fe-DAC Graphitic edges DFT Microkinetic

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Investigating explainable transfer learning for battery lifetime prediction under state transitions

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eScience 2024年第5期4卷 132-142页

作者： Tianze Lin Sihui Chen Stephen JHarris Tianshou Zhao Yang Liu Jiayu Wan Global Institute of Future Technology Shanghai Jiao Tong UniversityNo.800 Dongchuan RoadShanghai 200240China Department of Mechanical and Energy Engineering Southern University of Science and TechnologyShenzhen 518055China SUSTech Energy Institute for carbon Neutrality Southern University of Science and TechnologyShenzhen 518055China Energy Storage and Distributed Resources division Lawrence Berkeley National LabBerkeleyCA 94720USA Data Science Research CenterDuke Kunshan UniversityNo.8 Duke AvenueKunshan 215316China Center for Advanced Energy System and Reliability Shanghai Jiao Tong UniversityNo.800 Dongchuan RoadShanghai 200240China

Battery lifetime prediction at early cycles is crucial for researchers and manufacturers to examine product quality and promote technology *** learning has been widely utilized to construct data-driven solutions for high-accuracy ***,the internal mechanisms of batteries are sensitive to many factors,such as charging/discharging protocols,manufacturing/storage conditions,and usage *** factors will induce state transitions,thereby decreasing the prediction accuracy of data-driven *** learning is a promising technique that overcomes this difficulty and achieves accurate predictions by jointly utilizing information from various ***,we develop two transfer learning methods,Bayesian Model Fusion and Weighted Orthogonal Matching Pursuit,to strategically combine prior knowledge with limited information from the target dataset to achieve superior prediction *** our results,our transfer learning methods reduce root-mean-squared error by 41%through adapting to the target ***,the transfer learning strategies identify the variations of impactful features across different sets of batteries and therefore disentangle the battery degradation mechanisms and the root cause of state transitions from the perspective of data *** findings suggest that the transfer learning strategies proposed in our work are capable of acquiring knowledge across multiple data sources for solving specialized issues.

关键词： Battery life prediction Transfer learning State transitions Explainability Degradation mechanism

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Horizontal well spacing optimization and gas injection simulation for the ultra-low-permeability Yongjin reservoir

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Energy Geoscience 2024年第1期5卷 196-203页

作者： Yao Zhang Chengyuan Lv Zengmin Lun Shuxia Zhao Yingfu He Ran Gao SINOPEC Exploration and Production research Institute BeijingChina

Optimal spacing for vertical wells can be effectively predicted with several published methods,but methods suitable for assessing the proper horizontal well spacing are *** work proposes a method for calculating the optimal horizontal well spacing for an ultra-low permeability reservoir e the Yongjin reservoir in the Juggar Basin,northwestern *** result shows that a spacing of 640m is the most economical for the development of the *** better develop the reservoir,simulation approaches are used and a new model is built based on the calculated well *** the reservoir has an ultralow permeability,gas injection is regarded as the preferred enhanced oil recovery(EOR)*** of different gases including carbon dioxide,methane,nitrogen and mixed gas are *** results show that carbon dioxide injection is the most efficient and economical for the development of the ***,if the reservoir produces enough methane,reinjecting methane is even better than injecting carbon dioxide.

关键词： Ultra-low-permeability reservoir Well spacing optimization Numerical simulation Gas injection EOR

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Single Fe atom-anchored manganese dioxide for efficient removal of volatile organic compounds in refrigerator

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Nano research 2024年第5期17卷 3927-3933页

作者： Yiwen Wang Jun Zhang Yongfei Zhang Yu Zhang Zhe Wang Jing Wang Yuen Wu Department of Endocrinology the First Affiliated Hospital of USTCDivision of Life Science and MedicineUniversity of Science and Technology of ChinaHefei 230001China School of Chemistry and Materials Science University of Science and Technology of ChinaHefei 230026China Hefei Hualing Co. LtdHefei 230088China Linkway Technology Co. LtdResearch Institute of Single Atom Catalysts Industry TechnologyNanning 530000China

The efficient and rapid removal of volatile organic compounds(VOCs)holds significant importance for ensuring food quality and human health,particularly within the low-temperature confined spaces in ***,achieving effective VOCs degradation under such conditions poses challenges in terms of activating inert bonds and facilitating mass *** this study,we propose a novel solution by designing a cleaner module that incorporates 1.07%single Fe atom-anchored manganese dioxide catalysts(FeSAs-MnO_(2)).The combination of single Fe atoms and defect-rich MnO_(2) substrate efficiently activates molecular oxygen,leading to enhanced generation of highly reactive oxygen species(ROS).Non-thermal plasma(NTP)and circulating fan are introduced to facilitate the regeneration of catalytic activity and improve mass *** FeSAs-MnO_(2) cleaner module demonstrates exceptional performance in trimethylamine(TMA)removal,achieving a conversion efficiency of 98.9%for 9 ppm within just 9 ***,accelerated aging tests predict an extended service life of up to 45 years for the FeSAs-MnO_(2) cleaner module,surpassing the expected lifespan of refrigerators significantly.

关键词： single atom catalysts volatile organic compounds(VOCs) trimethylamine(TMA) non-thermal plasma(NTP) refrigerator

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Decarbonization options of the iron and steelmaking industry based on a three-dimensional analysis

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International Journal of Minerals,Metallurgy and Materials 2023年第2期30卷 388-400页

作者： Xin Lu Weijian Tian Hui Li Xinjian Li Kui Quan Hao Bai Department of Metallurgy Graduate School of EngineeringTohoku UniversitySendai 980-8579Japan School of Metallurgical and Ecological Engineering University of Science and Technology BeijingBeijing 100083China China Metallurgical Industry Planning and research Institute(MPI) Beijing 100711China carbon dioxide research division CISDI Research&Development Co.Ltd.Chongqing 401122China

Decarbonization is a critical issue for peaking CO_(2) emissions of energy-intensive industries,such as the iron and steel *** decarbonization options of China’s ironmaking and steelmaking sector were discussed based on a systematic three-dimensional low-carbon analysis from the aspects of resource utilization(Y),energy utilization(Q),and energy cleanliness which is evaluated by a process general emission factor(PGEF)on all the related processes,including the current blast furnace(BF)-basic oxygen furnace(BOF)integrated process and the specific sub-processes,as well as the electric arc furnace(EAF)process,typical direct reduction(DR)process,and smelting reduction(SR)*** study indicates that the three-dimensional aspects,particularly the energy structure,should be comprehensively considered to quantitatively evaluate the decarbonization road map based on novel technologies or *** scrap utilization(improvement of Y)and the substitution of carbon-based energy(improvement of PGEF)in particular is *** terms of process scale,promoting the development of the scrap-based EAF or DR-EAF process is highly encouraged because of their lower *** three-dimensional method is expected to extend to other processes or industries,such as the cement production and thermal electricity generation industries.

关键词： peak CO_(2)emission low carbon management decarbonization option energy-intensity industry ironmaking and steelmaking

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Dynamic asymmetric mechanical responsive carbon nanotube fiber for ionic logic gate

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Chinese Chemical Letters 2024年第6期35卷 249-253页

作者： Pei Cao Yilan Wang Lejian Yu Miao Wang Liming Zhao Xu Hou State Key Laboratory of Physical Chemistry of Solid Surfaces College of Chemistry and Chemical EngineeringXiamen UniversityXiamen 361005China Innovation Laboratory for Sciences and Technologies of Energy Materials of Fujian Province(IKKEM) Xiamen 361005China The Higher Educational Key Laboratory for Biomedical Engineering of Fujian Province Department of BiomaterialsResearch Center of Biomedical Engineering of XiamenCollege of MaterialsXiamen UniversityXiamen 361005China Key Laboratory of Multifunctional Nanomaterials and Smart Systems Advanced Materials DivisionSuzhou Institute of Nano-Tech and Nano-BionicsChinese Academy of SciencesSuzhou 215123China Institute of Artificial Intelligence Xiamen UniversityXiamen 361005China Department of Physics Research Institute for Biomimetics and Soft MatterFujian Provincial Key Laboratory for Soft Functional Materials ResearchJiujiang Research InstituteCollege of Physical Science and TechnologyXiamen UniversityXiamen 361005China Engineering research Center of Electrochemical Technologies of Ministry of Education Xiamen UniversityXiamen 361005China

Inspired by biological ion channels,numerous artificial asymmetric ion channels have been synthesized to facilitate the fabrication of ionic ***,the creation of biomimetic asymmetric ion channels necessitates expensive scientific apparatus and intricate material processing procedures,which constrains its advancement within the realm of ionic *** this study,we have devised dynamic asymmetric ion channels with mechanical responsiveness by combining polymers of varying elastic modulus along the longitudinal axis of carbon nanotube fiber(CNTF).The ion rectification can be modulated via the disparate response of CNTF-based ion channels to mechanical *** have effectively employed these asymmetric ion channels with mechanical sensitivity in the design of a logic gate device,achieving logic operations such as“AND”and“OR”.The conception of these dynamic asymmetric ion channels with mechanical sensitivity offers a straightforward,cost-effective,and versatile approach for generating ion channels,highlighting their potential application in intricate,highly integrated ionic circuits.

关键词： carbon nanotubes fibers Mechanical response Rectification effect Ionic logic gate

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Displacement characteristics of CO_(2)flooding in extra-high water-cut reservoirs

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Energy Geoscience 2024年第1期5卷 212-218页

作者： Rui Wang Yaxiong Zhang Chengyuan Lyu Zengmin Lun Maolei Cui Dongjiang Lang SINOPEC Petroleum Exploration and Production research Institute BeijingChina

carbon dioxide(CO_(2))flooding is a widely applied recovery method during the tertiary recovery of oil and gas.A high water saturation condition in reservoirs could induce a‘water shielding’phenomenon after the injection of CO_(2).This would prevent contact between the injected gas and the residual oil,restricting the development of the miscible zone.A micro-visual experiment of dead-end models,used to observe the effect of a film of water on the miscibility process,indicates that CO_(2)can penetrate the water film and come into contact with the residual oil,although the mixing is significantly ***,the dissolution loss of CO_(2)at high water-cut conditions is not *** oil-water partition coefficient,defined as the ratio of CO_(2)solubility in an oil-brine/two-phase system,keeps constant for specific reservoir conditions and changes little with an injection *** NMR device shows that when CO_(2)flooding follows water flooding,the residual oil decreasesdnot only in medium and large pores but also in small and micro *** levels of higher water saturation,CO_(2)displacement is characterized initially by a low oil production rate and high *** the CO_(2)breakthrough,the water-cut decreases sharply and the oil production rate increases *** response time of CO_(2)flooding at high watercut reservoirs is typically delayed and *** results were confirmed in a pilot test for CO_(2)flooding at the P1-1 well group of the Pucheng *** from this pilot study also suggest that a larger injection gas pore volume available for CO_(2)injection is required to offset the dissolution loss in high water saturation conditions.

关键词： Displacement characteristics CO_(2)flooding Water shield phenomenon Oil-water partition coefficient Response time High water-cut

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Low-carbon design towards sustainable city development:Integrating glass space with natural greenery

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Science China(Technological Sciences) 2024年第9期67卷 2659-2674页

作者： CAO Shi-Jie ZHANG CunKuan WANG JunQi FENG ZhuangBo CHEN Gang HAGHIGHAT Fariborz School of Architecture Southeast UniversityNanjing 210096China Jiangsu Province Engineering research Center of Urban Heat and Pollution Control Southeast UniversityNanjing 210096China Global Centre for Clean Air research Department of Civil and Environmental EngineeringFaculty of Engineering and Physical SciencesUniversity of SurreyGuildfordGU27XHUnited Kingdom The Third Construction Co. Ltd.of China Construction Eighth Engineering DivisionNanjing 210046China Energy and Environment Group Department of BuildingCivil and Environmental EngineeringConcordia UniversityMontrealH3G 1M8Canada

The rapid urban development has caused serious problems such as high energy consumption and carbon emissions,especially under the context of climate *** are particularly energy-intensive,generating about one third of global energyrelated carbon *** with active solutions(like mechanical systems),passive solutions offer the potential to balance energy consumption,thermal comfort,and ecological *** potential solution is the integration of green glass space(GGS)into passive building *** is a transitional building space with glass curtain walls that exhibit excellent insulation performance during ***,GGS is susceptible to overheating during summer,which limits its ***,this work proposes a strategy of integrating vertical greenery into GGS,leveraging the nature-based solution of greenery(i.e.,flourishes in summer and withers in winter)to address this seasonal challenge of *** results demonstrated that the strategic application of vertical greenery can effectively mitigate the overheating in GGS and improve comprehensive *** using full coverage of vertical greenery in a linear layout,the air temperature of GGS and cooling energy consumption were largely reduced by 8.02℃and 12.2%,respectively,while the carbon abatement was enhanced by up to 101.11 *** on a comprehensive evaluation of energy,economy,and environmental benefits,it is recommended to use a greenery configuration with 50%coverage in a vertical linear layout for *** integration of greenery into building design can mitigate adverse environmental impacts,reduce energy consumption,and contribute to the sustainable development of low-carbon cities.

关键词： low-carbon design green glass space vertical greenery greenery configuration carbon abatement

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Self-supported VO_(2)on polydopamine-derived pyroprotein-based fibers for ultrastable and flexible aqueous zinc-ion batteries

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carbon Energy 2024年第7期6卷 1-13页

作者： Jeong Seok Yeon Sul Ki Park Shinik Kim Santosh VMohite Won Il Kim Gun Jang Hyun-Seok Jang Jiyoung Bae Sang Moon Lee Won GHong Byung Hoon Kim Yeonho Kim Ho Seok Park School of Chemical Engineering College of EngineeringSungkyunkwan UniversityGyeonggi-doRepublic of Korea Department of Engineering University of CambridgeCambridgeUK Department of Applied Chemistry Konkuk UniversityChungjuRepublic of Korea Department of Chemistry Ulsan National Institute of Science and Technology(UNIST)College of Natural SciencesUlsanRepublic of Korea Department of Physics Incheon National UniversityIncheonRepublic of Korea Intelligent Sensor Convergence research Center Incheon National UniversityIncheonRepublic of Korea Institute of Basic Science Incheon National UniversityIncheonRepublic of Korea division of Material Analysis and research Korea Basic Science InstituteDaejeonRepublic of Korea

A conventional electrode composite for rechargeable zinc-ion batteries(ZIBs)includes a binder for strong adhesion between the electrode material and the current ***,the introduction of a binder leads to electrochemical inactivity and low electrical conductivity,resulting in the decay of the capacity and a low rate *** present a binder-and conducting agent-free VO_(2)composite electrode using in situ polymerization of dopamine on a flexible current collector of pyroprotein-based *** as-fabricated composite electrode was used as a substrate for the direct growth of VO_(2)as a self-supported form on polydopamine-derived pyroprotein-based fibers(pp-fibers@VO_(2)(B)).It has a high conductivity and flexible nature as a current collector and moderate binding without conventional binders and conducting agents for the VO_(2)(B)*** addition,their electrochemical mechanism was *** energy storage is induced by Zn^(2+)/H^(+)coinsertion during discharging,which can be confirmed by the lattice expansion,the formation of by-products including Zn_(x)(OTf)_(y)(OH)_(2x−y)·nH_(2)O,and the reduction of V^(4+)to V^(3+).Furthermore,the assembled Zn//pp-fibers@VO_(2)(B)pouch cells have excellent flexibility and stable electrochemical performance under various bending states,showing application possibilities for portable and wearable power sources.

关键词： aqueous battery binder free conducting agent‐free flexible electrode zinc‐ion battery

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Highly efficient vanadium redox flow batteries enabled by a trilayer polybenzimidazole membrane assembly

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carbon Energy 2024年第7期6卷 191-204页

作者： Trung Tuyen Bui Mingyu Shin Mohammad Rahimi Anders Bentien Yongchai Kwon Dirk Henkensmeier Hydrogen·Fuel Cell research Center Korea Institute of Science and Technology(KIST)SeoulRepublic of Korea Department of Chemical and Biomolecular Engineering Seoul National University of Science and TechnologySeoulRepublic of Korea Department of Biological and Chemical Engineering Aarhus UniversityAarhusDenmark KIST School Division of Energy and Environment TechnologyUniversity of Science and TechnologySeoulRepublic of Korea Graduate School of Energy and Environment Korea UniversitySeoulRepublic of Korea

A novel polybenzimidazole(PBI)-based trilayer membrane assembly is developed for application in vanadium redox flow battery(VRFB).The membrane comprises a 1μm thin cross-linked poly[2,2′-(p-oxydiphenylene)−5,5′-bibenzimidazole](OPBI)sandwiched between two 20μm thick porous OPBI membranes(p-OPBI)without further lamination *** trilayer membrane demonstrates exceptional properties,such as high conductivity and low area-specific resistance(ASR)of 51 mS cm−1 and 81mΩcm^(2),*** with vanadium electrolyte increases the ASR of trilayer membrane only to 158mΩcm^(2),while that of Nafion is 193mΩcm^(2).VO^(2+)permeability is 2.73×10^(-9) cm^(2) min^(−1),about 150 times lower than that of Nafion *** addition,the membrane has high mechanical strength and high chemical stability against VO^(2+).In VRFB,the combination of low resistance and low vanadium permeability results in excellent performance,revealing high Coulombic efficiency(>99%),high energy efficiency(EE;90.8%at current density of 80mA cm^(−2)),and long-term *** EE is one of the best reported to date.

关键词： polybenzimidazole porous membrane proton conductivity trilayer VRFBs

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