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Encapsulation of Co/Co3o4 Hetero-Nanoparticles within the Inner Tips of N-Doped Carbon Nanotubes: engineering Mott-Schottky Nanoreactors for Efficient Bifunctional Oxygen Electrocalysis Toward Flexible Zinc-Air Batteries

SSRN

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SSRN 2022年

作者： Zhang, Binbin Lu, Tingyu Ren, Yiping Huang, Longzhen Pang, Huan Zhao, Qun Tian, Shu Yang, Jun Xu, Lin Tang, Yawen Tian, Xinlong School of Chemistry and Materials Science Jiangsu Key Laboratory of New Power Batteries Jiangsu Collaborative Innovation Centre of Biomedical Functional Materials Nanjing Normal University Nanjing210023 China School of Chemistry and Chemical Engineering Yangzhou University Yangzhou225009 China College of Chemistry and Chemical Engineering Nantong University Nantong226019 China Nanjing IPE Institute of Green Manufacturing Industry Nanjing211100 China State Key Laboratory of Multiphase Complex Systems Institute of Process Engineering Chinese Academy of Sciences Beijing100190 China State Key Laboratory of Marine Resource Utilization in South China Sea Hainan Provincial Key Lab of Fine Chemistry School of Chemical Engineering and Technology Hainan University Haikou570228 China

We demonstrate a typical Mott-Schottky electrocatalyst by ingeniously encasing Co/Co3O4 hetero-nanoparticles within the inner tips of N-doped carbon nanotubes (abbreviated as Co/Co3O4@N-CNTs hereafter) through a facile and scalable hydrogel-bridged pyrolysis strategy. Experimental and theoretical findings collectively manifest that the spontaneous charge redistribution at the Co/Co3O4 heterointerfaces is essential to promote the charge transfer capability, lower down the reaction barriers for oxygen electrocatalysis, and ultimately boost the intrinsic activities. Accordingly, the well-designed Co/Co3O4@N-CNTs exhibit admirable ORR and OER activities and long-term robustness in KOH medium, exceeding the commercial Pt/C and RuO2 benchmarks, respectively. Furthermore, the Co/Co3O4@N-CNTs-assembled flexible all-solid-state zinc-air battery displays a high power density, remarkable rate capability, excellent rechargeablity and outstanding mechanical flexibility even under severe deformations, predicting the great potentials in diverse next-generation wearable electronic devices. The rationale of the construction of Mott-Schottky heterojunctions may provide an innovative and instructive avenue to design diversified energy nanomaterials. © 2022, The Authors. All rights reserved.

关键词： Doping (additives)

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Full-core normal and preliminary transient analysis for SiC-based rod designs 14

Full-core normal and preliminary transient analysis for SiC-...

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14th International Nuclear Fuel Cycle Conference, GLOBAL 2019 and Light Water Reactor Fuel Performance Conference, TOP FUEL 2019

作者： He, Yanan Deng, Yangbin Wu, Yingwei Shirvan, Koroush Department of Nuclear Science and Engineering MIT CambridgeMA02139 United States State Key Laboratory of Multiphase Flow in Power Engineering Department of Nuclear Science and Technology Xi'an Jiaotong University Xi'an City710049 China College of Physics and Energy Shenzhen University Shenzhen518060 China

When introducing a new fuel concept in traditional light water reactors (LWRs), analyzing its performance under a variety of power histories while attempting to simulate its stress state as realistic as possible is desired. By having access to such capability, the fuel developer can assess the safety characteristics of the new fuel concept and optimize its design performance. SiC/SiC Ceramic Matrix Composite (CMC) with chemically vapor deposited (CVD) SiC, is an accident tolerant fuel (ATF) concept owing to its high mechanical strength and remarkably enhanced oxidation-resistance. The modeling of SiC cladding requires capability to simulate multilayers and capture the nonlinear response of SiC material under neutron radiation. In addition, considering its probabilistic failure characteristics, efficient running fuel performance tools are required to assess its initial safety performance and optimize its design. In this work, we added a multi-layer deformation model in FRAPCON-4.0 and FRAPTRAN-2.0, with the primary motivation to analyze the performance of SiC cladding for UO2, annular UO2 and U3Si2 fuels from a full core point-of-view. We then performed reactivity-initiated accident (RIA) and loss-of-coolant accident (LOCA) for the limiting rod. During normal conditions, the failure risk of SiC cladding is mainly determined by pellet-cladding mechanical interaction (PCMI) and U3Si2 is a more promising fuel compared to UO2. While promising performance was simulated during LOCA for all fuels, during RIA, U3Si2 performance was found to be likely more limiting compared to UO2. Results show that the full core simulation methods developed for this work are robust and computationally efficient and can be adopted for other ATF design analysis. Copyright © GLOBAL 2019 - International Nuclear Fuel Cycle Conference and TOP FUEL 2019 - Light Water Reactor Fuel Performance *** rights reserved.

关键词： Silicon carbide

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PRELIMINARY NEUTRONIC/THERMAL-HYDRAULIC AND SAFETY ASSESSMENT OF PRESSURIZED WATER REACTOR LOADED WITH FULLY CERAMIC MICROENCAPSULATED FUEL

PRELIMINARY NEUTRONIC/THERMAL-HYDRAULIC AND SAFETY ASSESSMEN...

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2020 International Topical Meeting on Advances in Thermal Hydraulics, ATH 2020

作者： Wu, Di Gui, Minyang Zhang, Dalin Wang, Chenglong Wu, Yingwei Su, G.H. Qiu, Suizheng Tian, Wenxi Yang, Hongfa Peng, Jingyang Shanxi Key Laboratory of Advanced Nuclear Energy and Technology School of Nuclear Science and Technology Xi'an Jiaotong University State Key Laboratory of Multiphase Flow in Power Engineering Xi'an710049 China Science and Technology on Reactor System Design Technology Laboratory Nuclear Power Institute of China Chengdu610213 China Nuclear and Radiation Safety Center Ministry of Ecology and Environment of the People's Republic of China Beijing100082 China

ISBN: (纸本)9780894487774

As one of the accident tolerant fuels (ATFs), fully ceramic microencapsulated (FCM) fuel shows superior safety performance in accidents, which has the characteristics of high melting point, excellent heat transfer ability and strong nuclear proliferation resistance. Based on the neutronic analysis of Chinese advanced three loop pressurized water reactor (PWR), the assemblies and cores of FCM-SiC and UO2-Zr were designed, power distributions and cycle lengths were obtained, and the power was adjusted to ensure the annual refueling requirements. By using system analysis code, station blackout (SBO) accident in FCM-SiC and UO2-Zr was analyzed, where the steam-driven auxiliary feedwater (AFW) in secondary loop failed to be supplied in time. Assuming that the AFW system couldn't be put into operation immediately after accident, the critical time could be calculated, that is to say, fuel centerline temperature (FCT) and peak cladding temperature (PCT) wouldn't exceed corresponding limits during accident once the AFW was provided within the critical time. It is found that the critical time of FCM-SiC is 9000s and higher than that of UO2-Zr (7000s), which shows the advantages of ATFs. This work could provide reference for the optimized design of the reactor safety system in the future. © ATH 2020 - International Topical Meeting on Advances in Thermal *** rights reserved.

关键词： Silicon carbide

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Lattice Boltzmann simulation on adsorption of sulfuric acid vapor by ash particles

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Fuel 2025年 401卷

作者： Ren, Jiyun Jiang, Chongjun Hu, Fangfang Wang, Hui Shao, Yunhao Liu, Xinyu Wu, Zhang Pan, Feng Yang, Qidong Deng, Lei Che, Defu State Key Laboratory of Multiphase Flow in Power Engineering School of Energy and Power Engineering Xi'an Jiaotong University Xi'an710049 China China University of Petroleum-Beijing Beijing102249 China China Energy Engineering Group Shaanxi Electric Power Design Institute Co. Ltd. Xi'an710054 China West Pipeline Company of PipeChina Urumchi830000 China

In the low-low temperature flue gas systems, sulfuric acid vapor is adsorbed onto the ash particles. Based on the SEM images of ash particles, the OpenCV library in C++ is employed for image binarization, which aids in developing a lattice Boltzmann method (LBM) that incorporates convection–diffusion and surface adsorption. The adsorption process of sulfuric acid vapor by ash particles with different chemical compositions is simulated and evaluated. The results indicate that sulfuric acid vapor exits through the ash particles at 5.1 μs, and stabilizes after 51 μs, reaching a maximum velocity of 0.29 m s–1. Without chemical additives, the ash particles undergo a rapid adsorption phase within the initial 1000 μs, achieving nearly 78.92 % saturation with an average adsorption amount of 1.31 mg g–1. At 10200 μs, most ash particles approach saturation adsorption, ranging from 1.6 to 1.8 mg g–1. For all ash particles with added chemical components, adsorption preferentially occurs on the left side at both 5.1 μs and 51 μs. At 510 μs, nearly half of the ash particles with 7.1 % K2CO3 reach adsorption saturation, while approximately one-half of those with 9.2 % Na2CO3 achieve the same. Following the addition of 18.4 % Na2CO3, smaller ash particles approach saturation at a faster adsorption rate compared to those with 14.2 % K2CO3, with less than half of the region reaching an adsorption amount of 3.5mg g−1. At 1000 μs, the ash particles containing 9.2 % and 18.4 % Na2CO3, along with 7.1 % and 14.2 % K2CO3, achieve saturation adsorption amounts of 96.14, 96.73 %, 95.45 %, and 93.87 %, respectively. The adsorption rate is high during the first 1000 μs but significantly declines after 1500 μs, nearing saturation by 3000 μs. The addition of 18.4 % Na2CO3 results in porosity of up to 73.65 % and fewer large particles, allowing for faster mainstream velocity and mass transfer within the pores, thereby facilitating the vapor adsorption. By integrating the binarization of SEM image

关键词： Kinetic theory of gases

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Thermal Simulation for a Mechanical Spindle With External Cooler Across Grease Coated Interface

Research Square

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Research Square 2021年

作者： Zhao, Liang Lei, Mohan Ren, Hongdi Wang, Jinshi Wang, Shuai Li, Ben Q. Yang, Jun Mei, Xuesong Xi'an Jiaotong University China State Key Laboratory for Manufacturing Systems Engineering Xi'an Jiaotong University Xi'An710049 China Shaanxi Key Laboratory of Intelligent Robots Xi'an Jiaotong University Xi'An710049 China School of Mechanical and Precision Instrument Engineering Xi'an University of Technology 710048 China State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong University Xi’an710049 China Department of Mechanical Engineering College of Engineering and Computer Science University of Michigan MI48128 United States

Spindles in precision boring machine often work in low speed and heavy load without internal cooling, and the thermal error is nonnegligible. So an external cooling system was designed, and the effectiveness of the designed scheme needs to be preliminarily verified by simulation before building the cooling system. Thermal simulations of the spindle with an external cooler require calculating the thermal resistance of the thermal grease-coated interface between the cooler and spindle. Models describing the contact thermal resistance and total thermal resistance for metal contact filled with silicone grease based on solid-liquid interface force equivalence were described in this paper, and experiments were also conducted to verify the accuracy of these models. The contact thermal resistances between the cast iron/copper and silicone grease on flat or arc surfaces were calculated, and the bulk thermal resistance of the silicone grease layer was calculated. The total heat transferred between the cooler and the silicone grease-coated interface of the spindle were calculated. Heat transfer and heat generation in the spindle were calculated, and a finite element model was established to verify the effectiveness of the designed external cooling scheme. Finally, results from experiments for the spindle in different conditions show that the external cooling system decreases the time to reach thermal equilibrium by more than 60%. The RMSE of the simulated thermal elongation is less than 5.7044 μm when the rotating speed of 3000 rpm, and is less than 3.9714 μm when the rotating speed is 1500 rpm. © 2021, CC BY.

关键词： Cooling

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Multiple defects construction of Co loading on Ni foam to activate water for promoting catalytic ozonation of dichloromethane

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Journal of Hazardous Materials 2025年 495卷 138816页

作者： Li, Yongtao Luan, Chujun Lin, Fawei Zhu, Xueyan Yan, Beibei Cheng, Zhanjun Chen, Guanyi He, Chi School of Environmental Science and Engineering Tianjin University/Tianjin Key Lab of Biomass/Wastes Utilization Tianjin300072 China School of Mechanical Engineering Tianjin University of Commerce Tianjin300134 China National Engineering Laboratory for VOCs Pollution Control Material & Technology University of Chinese Academy of Sciences Beijing101408 China State Key Laboratory of Multiphase Flow in Power Engineering School of Energy and Power Engineering Xi'an Jiaotong University Xi'an710049 China

Catalytic ozonation of chlorinated volatile organic compounds (Cl-VOCs) still faces with obstacles of water poisoning and byproducts formation. This work successfully synthesizes a Co-based monolithic catalyst with multiple defects construction that could activate water to promote dichloromethane (DCM) conversion and mineralization by catalytic ozonation at 120 °C. CO(NH2)2 and NH4F firstly create Ni defects to provide more adhesion sites, while they further contributed to crystallization and orientated growth of CoOx with a morphology of crowded nanoneedles, respectively, as well as etching Co defects and oxygen vacancies. Co-NUF-6 exhibited a DCM conversion of up to 88 % at a O3/DCM of 10.0, and 3 vol% water elevated it to 98 % with approximately three times reduction of polychlorinated byproducts. CoOx with abundant defects exhibited excellent water-activating effect to generate abundant O2− (superoxide) and O22− (peroxide), which replenished lattice oxygen and facilitated the production of more active hydroxyl groups from O3 hydroxylation, contributing to better DCM conversion and mineralization. This work transits low-temperature water poisoning to water activating and eliminated toxic polychlorinated byproducts by developing the monolithic catalyst with multiple defects for efficient elimination of DCM, which has application potential towards practical waste gas purification and provides guidance for future water-activating catalyst design. © 2025 Elsevier B.V.

关键词： Gas fuel purification

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Exploring Geometric Chirality in Nanocrystals for Boosting Solar-to-Hydrogen Conversion

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Angewandte Chemie 2024年第45期136卷

作者： Wenlong Fu Qi Gao Chunyang Zhang Lili Tan Biao Jiang Chengyu Xiao Prof. Maochang Liu Prof. Peng-peng Wang State Key Laboratory for Mechanical Behavior of Materials Shaanxi International Research Center for Soft Matter School of Materials Science and Engineering Xi'an Jiaotong University Xi'an Shaanxi 710049 PR China International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an Shaanxi 710049 PR China

Advancing catalyst design is pivotal for the enhancement of photocatalytic processes in renewable energy conversion. The incorporation of structural chirality into conventional inorganic solar hydrogen nanocatalysts promises a significant transformation in catalysis, a feature absent in this field. Here we unveil the unexplored potential of geometric chirality by creating a chiral composite that integrates geometric chiral Au nanoparticles (NPs) with two-dimensional C 3 N 4 nanosheets, significantly boosting photocatalytic H 2 evolution beyond the achiral counterparts. The superior performance is driven by the geometric chirality of Au NPs, which facilitates efficient charge carrier separation through the favorable C 3 N 4 -chiral Au NP interface and chiral induced spin polarization, and exploits high-activity facets within the concave surfaces of chiral Au NPs. The resulting synergistic effect leads to a remarkable increase in photocatalytic H 2 evolution, with an apparent quantum yield of 44.64 % at 400 nm. Furthermore, we explore the selective polarized photo-induced carrier separation behavior, revealing a distinct chiral-dependent photocatalytic HER performance. Our work advances the design and utilization of chiral inorganic nanostructures for superior performance in energy conversion processes.

关键词： Geometric chirality Nanoparticles Photocatalytic hydrogen evolution reaction Chiral effect

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Sustainable hydrogen production from coal tar residue via supercritical water gasification

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Journal of Cleaner Production 2025年 519卷

作者： Jingui Bai Yu Wang Shi Liu Libo Lu Wen Cao Ting Chen Yunan Chen Liejin Guo State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University No.28 Xianning West Road Xi'an 710049 China Ningxia Baoting New Materials Technology Co. Ltd. Yinchuan 751400 Ningxia China

Hazardous wastes such as coal tar residue (CTR) pose a serious hazard to the environment and human health. In the context of ‘carbon peak and carbon neutrality’, the conversion of wasted resources into energy to replace fossil fuels is in line with the requirements of future social development. Supercritical water (SCW) offers a promising approach for converting hazardous waste CTR into energy. This article combines supercritical water gasification (SCWG) technology with the efficient utilization of CTR for the first time, providing a scientific solution for reducing environmental pollution and preparing hydrogen. In this article, we systematically investigated the effects of temperature (540–700 °C), residence time (5–60 min), material concentration (3 wt%-11 wt%), and six different catalysts on CTR SCWG. Experimental results indicate that higher temperature, longer reaction time, and lower CTR concentration are beneficial for gasification. When the temperature, retention time, material concentration, and catalyst are set at 700 °C, 60 min, 3 wt%, and K 2 CO 3 respectively, most of the carbon in the CTR is converted into small molecular gases. The carbon gasification efficiency (CE) reaches 94.44 %, while the H 2 yield attains a value of 67.56 mol kg −1 . Finally, based on the analysis results of gas, liquid and solid products, the SCWG mechanism of CTR is summarized.

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Atomically Dispersed Co Sites on BiOCl Nanosheets for Efficient CO 2 Photoreduction

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Green Energy & Environment 2025年

作者： Ting Peng Yiduo Wang Ke Wang Kaini Zhang Yiqing Wang Yufei Xu Qingqing Guan Guofu Wang Wenjie Zhang Binglan Wu Shaohua Shen International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong University Xi’an 710049 China College of Chemical and Biological Engineering Zhejiang University Hangzhou 310058 China Institute of Zhejiang University-Quzhou Quzhou 324000 China

Efficient CO 2 photoreduction to produce fuel remains a great challenge, due to the fast recombination of photogenerated charge carriers and the lack of effective reactive sites in the developed photocatalysts. Herein, single Co atoms (Co SA ) were highly dispersed on hydrothermally synthesized BiOCl nanosheets (BOC) by a facile two-step electrostatic self-assembly and pyrolysis method. The obtained Co SA -BOC could be performed for efficient CO 2 photoreduction to stoichiometrically produce CO and O 2 at the ratio of 2:1, with the CO evolution rate reaching 45.93 μmol g –1 h –1 , ∼4 times that of the pristine BOC. This distinctly improved photocatalytic performance for Co SA -BOC should be benefited from the introduction of atomically dispersed Co-O 4 coordination structures, which could accelerate the migration of photogenerated charge carriers to surface by creating an impurity energy level in the forbidden band, and act as the reactive sites to deliver the photogenerated electrons to activate CO 2 molecules for CO production. This work provides a facile and reliable strategy to highly disperse single atoms on low-dimensional semiconductors for efficient CO 2 photoreduction to selectively produce CO.

关键词： photocatalysis CO 2 reduction BiOCl nanosheets single Co atoms

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Function-switchable metal/semiconductor junction enables efficient photocatalytic overall water splitting with selective water oxidation products

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Science Bulletin 2020年第16期65卷 1389-1395,M0004页

作者： Daixing Wei Yubo Tan Yiqing Wang Tingting Kong Shaohua Shen Samuel S.Maoc International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power EngineeringXi'an Jiaotong UniversityXi'an 710049China College of Chemistry and Chemical Engineering Xi'an Shiyou UniversityXi'an 710054China Department of Mechanical Engineering University of California at BerkeleyBerkeleyCA 94720USA

A novel metal/semiconductor photocatalyst,Cu nanoparticles(NPs)modified TiO2 hollow spheres(Cu/TiO2),was designed for efficient photocatalytic overall water splitting(POWS)under both ultraviolet(UV)and visible(Vis)*** Cu/TiO2 photocatalyst possesses excellent POWS performance under Vis light at the highest level among the reported TiO2-based ***,the metal/semiconductor junction formed between Cu and TiO2 enables controlled water-oxidation product selectivity(H2O2 or O2)via different reaction pathways regulated by irradiation *** UV light,the electrons excited in TiO2 are captured by Cu NPs through the Cu/TiO2 Schottky interface for H2 production,with the photoholes in TiO2 producing H2O2 through a two-electron process;whilst under Vis light,Cu NPs act as plasmon to inject hot electrons to TiO2 for H2 production,while O2 is produced by hot holes on Cu NPs via a four-electron *** rational design of function-switchable metal/semiconductor junction may be helpful to understand the mechanisms for POWS with desired gas/liquid water-oxidation products.

关键词： Photocatalysis Water splitting Product selectivity Reaction pathway Metal/semiconductor junction

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