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Transition‐metal‐atom‐pairs deposited on g‐CN monolayer for nitrogen reduction reaction:Density functional theory calculations

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Chinese Journal of Catalysis 2021年第7期42卷 1160-1167页

作者： Bin Huang Yifan Wu Bibo Chen Yong Qian Naigen Zhou Neng Li State Key Laboratory of Nuclear Resources and Environment East China University of TechnologyNanchang 330031JiangxiChina State Key Laboratory of Silicate Materials for Architectures Wuhan University of TechnologyWuhan 430070HubeiChina School of Materials Science and Engineering Nanchang UniversityNanchang 330031JiangxiChina Shenzhen Research Institute of Wuhan University of Technology Shenzhen 518000GuangdongChina State Center for International Cooperation on Designer Low‐Carbon&Environmental Materials(CDLCEM) School of Materials Science and EngineeringZhengzhou UniversityZhengzhou 450001HenanChina

The development of highly active DFT catalysts for an electrocatalytic N_(2)reduction reaction(NRR)under mild conditions is a difficult *** this study,a series of atom‐pair catalysts(APCs)for an NRR were fabricated using transition‐metal(TM)atoms(TM=Sc−Zn)doped into g‐CN *** electrochemical mechanism of APCs for an NRR has been reported by well‐defined density functional theory *** calculated limiting potentials were−0.47 and−0.78 V for the Fe_(2)@CN and Co_(2)@CN catalysts,*** to its high suppression of hydrogen evolution reactions,Co_(2)@CN is a superior electrocatalytic material for a N_(2)*** Fe_(2)@CN may be a strongly attractive material for an NRR with a relatively low overpotential after an improvement in the *** two‐way charge transfer affirmed the donation‐acceptance procedure between N_(2)and Fe_(2)@CN or Co_(2)@CN,which play a crucial role in the activation of inert N≡N *** study provides an in‐depth investigation into atom‐pair catalysts and will open up new avenues for highly efficient g‐CN‐based nanostructures for an NRR.

关键词： Atom‐pair catalysts Graphitic carbon nitride monolayers Nitrogen reduction reaction Two‐dimensional materials Density functional theory calculations

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Top-k contrast order-preserving pattern mining

arXiv

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arXiv 2023年

作者： Wu, Youxi Meng, Yufei Li, Yan Guo, Lei Zhu, Xingquan Fournier-Viger, Philippe Wu, Xindong School of Artificial Intelligence Hebei University of Technology Tianjin300401 China Shijiazhuang University of Applied Technology Shijiazhuang050081 China School of Economics and Management Hebei University of Technology Tianjin300401 China State Key Laboratory of Reliability and Intelligence of Electrical Equipment Hebei University of Technology Tianjin300401 China Department of Computer & Electrical Engineering and Computer Science Florida Atlantic University FL33431 United States Shenzhen University Shenzhen China Research Center for Knowledge Engineering The Zhejiang Lab Hangzhou311121 China

Recently, order-preserving pattern (OPP) mining, a new sequential pattern mining method, has been proposed to mine frequent relative orders in a time series. Although frequent relative orders can be used as features to classify a time series, the mined patterns do not reflect the differences between two classes of time series well. To effectively discover the differences between time series, this paper addresses the top-k contrast OPP (COPP) mining and proposes a COPP-Miner algorithm to discover the top-k contrast patterns as features for time series classification, avoiding the problem of improper parameter setting. COPP-Miner is composed of three parts: extreme point extraction to reduce the length of the original time series, forward mining, and reverse mining to discover COPPs. Forward mining contains three steps: group pattern fusion strategy to generate candidate patterns, the support rate calculation method to efficiently calculate the support of a pattern, and two pruning strategies to further prune candidate patterns. Reverse mining uses one pruning strategy to prune candidate patterns and consists of applying the same process as forward mining. Experimental results validate the efficiency of the proposed algorithm and show that top-k COPPs can be used as features to obtain a better classification performance. Copyright © 2023, The Authors. All rights reserved.

关键词： Time series

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Enhanced performance of the CeO2[sbnd]MgO oxygen carrier by NiO for chemical looping CO2 splitting

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Fuel Processing technology 2022年 225卷 107045-107045页

作者： Li, Zhiqiang Feng, Xiangbo Gu, Zhenhua Lu, Chunqiang Li, Danyang Zhu, Xing Jiang, Lei Deng, Guixian Li, Kongzhai Engineering Research Center of Metallurgical Energy Conservation and Emission Reduction Ministry of Education Kunming University of Science and Technology Kunming650093 China Xi'an Key Laboratory of Advanced Photo-electronics Materials and Energy Conversion Device School of Science Xijing University Xi'anShanxi710000 China School of Energy and Environment Science Yunnan Normal University Kunming650093 China Faculty of Metallurgical and Energy Engineering Kunming University of Science and Technology Kunming650093 China

Chemical looping CO2 splitting is a novel technology to coproduce syngas and pure CO. Herein, a series of xNiO/(CeO2-MgO) (x = 0, 1, 5, 7, 10 and 15 wt%) oxygen carriers were prepared by a co-precipitation method. The physicochemical characterizations suggest that the addition of NiO into the CeO2-MgO oxygen carrier significantly enhances the activity for the CH4 and CO2 conversion. In particular, the addition of 10 wt% NiO increases the CH4 conversion from 15.62% to 59.64% with a CO selectivity of nearly 100% in multiple redox tests at 800 °C. The produced syngas also maintains a stable H2/CO molar ratio of 2.0 during the CH4 reduction step. The oxygen exchange between oxygen carriers and CO2 becomes easier, which enhances the yields of CO up to 1.75 mmol/g in the CO2 splitting step. The formation of CeO2-NiO and NiO-MgO double solid solutions is found in the oxygen carriers, which avoids the agglomeration of NiO and improves the redox stability of the oxygen carrier. In addition, some Ni species in solid solutions migrate from the bulk to the surface after redox cycles, which contributes to the greater contact opportunity with the reacting gas to promote the CH4 conversion and CO2 activation. © 2021

关键词： Carbon dioxide

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Assessment of Thermal environment and Thermal Comfort in a Typical Ice Composite Shell Structure Building

SSRN

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SSRN 2023年

作者： Zhang, Yuanyuan Guo, Jiachang Wang, Zhen Luo, Peng Xia, Yun Liu, Jing Tian, Ye School of Architecture Harbin Institute of Technology Heilongjiang Harbin150006 China Key Laboratory of Cold Region Urban and Rural Human Settlement Environment Science and Technology Ministry of Industry and Information Technology China Yellow River Engineering Consulting Co. Ltd. Henan Zhengzhou450003 China Heilongjiang Province Academy of Cold Area Building Research Heilongjiang Harbin150080 China

Ice composite shell structure buildings are a special type of architecture found in severe cold regions and have played an important role in ice and snow tourism in recent years because they provide tourists with a romantic and novel experience. Through field tests, we investigated the thermal environment of a typical ice composite shell structure building in Harbin, China. In the unheated hall and separate small room, the average temperature and relative humidity of indoor air were -20.64 °C and 76.94%, and -17.71 °C and 79.57%, respectively. The surface heat flux test of the north-facing building envelope showed that the thermal properties of composite and plain ice differed significantly and that composite ice may have a lower thermal conductivity. A natural ventilation rate of 48,041 m3/h was equivalent to an air change rate of 6.86 h-1, which is an important factor that makes the thermal environment easily influenced by outdoor meteorological conditions. On the other hand, we studied the thermal sensation and thermal comfort of tourists through a questionnaire investigation. It was found that the mean values of thermal sensation vote for the foot, hand, and head were -3.45, -2.47, and -1.34, respectively. The mean values of the overall thermal sensation vote and thermal comfort vote were -2.5 and -0.931, respectively. An adaptive thermal sensation prediction model appropriate for ice composite shell structure buildings was developed. These findings will help in designing and constructing thermal environments that are better suited for short-term stays and specialty tourism. © 2023, The Authors. All rights reserved.

关键词： Thermal comfort

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Recyclable Mussel-Inspired Magnetic Nanocellulose @Polydopamine-Ag Nanocatalyst for Efficient Degradation of Organic Dye Contaminants and Disinfection of E. Coli

SSRN

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SSRN 2022年

作者： Wang, Guihua Yang, Fan Huang, Wenhuan Zhou, YiFan Huang, Rongfu Yang, Qin Yan, Bin National Engineering Laboratory for Clean Technology of Leather Manufacture College of Biomass Science and Engineering Sichuan University Chengdu610065 China Sichuan University China Sinopec Shengli Oilfield Chunliang Oil Prod Plant Shandong Dongying256600 China MOE Key Laboratory of Deep Earth Science and Engineering College of Architecture and Environment Sichuan University Sichuan Chengdu610065 China

It is of great demand to develop a novel strategy to tackle bacterial-contaminated complex industrial wastewaters containing refractory organic pollutants. In this study, polydopamine (PDA) coated magnetic nanocellulose (MCNF) loaded with silver nanoparticles (AgNPs) (MCNF/PDA-Ag) nanocomposites were designed and applied for efficient degradation of organic dye pollutants and inactivation of Escherichia coli (E. coli) in wastewater. In the presence of NaBH4, MCNF/PDA-Ag could achieve a high catalytic reduction rate of 6.54 min-1 for the removal of methylene blue (MB). Similarly, it showed good catalytic reduction performance for methyl orange (MO) (0.63 min-1) and 4-nitrophenol (4-NP) (2.94 min-1). The MCNF/PDA-Ag nanocomposites can be easily magnetically recycled and reused with negligible loss of catalytic performance. Moreover, this nanocatalyst also exhibited excellent disinfection performance against E. coli, with more than 99% disinfection ratio at very low doses (50 μg/mL). Overall, this work provides new insights into a delicate design of advanced magnetically recyclable silver nanocomposites with ultra-high catalytic rates and excellent antibacterial properties. © 2022, The Authors. All rights reserved.

关键词： Silver nanoparticles

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A Great Achievement in Mitigation of Pm2.5 Pollution in Cold Seasons in One of the World's Once Most Polluted Area: A Perspective Gained from Regional Observation

SSRN

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SSRN 2023年

作者： Chu, Yangxi Chi, Xiyuan Du, Jinhong Duan, Jingchun Chan, Chak K. Lu, Keding Yin, Lina Tan, Jihua Hu, Jingnan Chai, Fahe State Key Laboratory of Environmental Criteria and Risk Assessment Chinese Research Academy of Environmental Sciences Beijing100012 China National Meteorological Center of China Meteorological Administration Beijing100081 China Division of Physical Science and Engineering King Abdullah University of Science and Technology Thuwal23955-6900 Saudi Arabia State Key Joint Laboratory of Environmental Simulation and Pollution Control College of Environmental Sciences and Engineering Peking University Beijing100871 China College of Resources and Environment University of Chinese Academy of Sciences Beijing101408 China

PM2.5 pollution has been greatly alleviated in Beijing-Tianjin-Hebei (BTH) and surrounding area since the implementation of Action Plans for Blue Skies in 2013. Regional air pollution covering multiple cities has recently become common, but an overview from a regional perspective is scarse. In this paper, based on PM2.5 chemical composition data collected in "2+26" cities during four consecutive autumn-winter seasons (AWS, from October to next March) from October 2016 to March 2020, we illustrated the distinct concentration increasing patterns of individual components as pollution aggravates, and identified the PM2.5 mass-driven component in different PM2.5 concentration regimes according to mass fraction calculations. Regionally, in the low PM2.5 regime (concentration ≤ 75 μg/m3), the PM2.5 mass remained organic matter (OM)-driven during the four AWSs. In the high PM2.5 regime (concentration > 75 μg/m3), regional PM2.5 increase pattern transformed from OM-driven during the 2016–2017 AWS to secondary inorganics-driven during the latter three AWSs, with nitrate becoming the dominant component, driving PM2.5 increase in almost 90% cities in the region. These transitions reflect the effectiveness of policies to control coal combustion emissions in recent years, but also highlight the need to reduce nitrogen oxide emissions from diesel vehicles and industry. Besides, the control of sulfur dioxide and primary organic matter should not be neglected, given the substantial contribution of PM2.5 sulfate under stagnant and humid meteorological conditions, especially in the geographically central and southern parts of the region, and the need for in-depth air quality improvement if the PM2.5 concentration standards are tightened. Considering the dominance of nitrate in driving regional PM2.5 pollution, more research on nitrate formation and its atmospheric and climatic impacts is warranted. © 2023, The Authors. All rights reserved.

关键词： Nitrates

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Biocatalytic nanomotor-assisted ultrafiltration membrane system for selective removal and transformation of phenolic contaminants

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Matter 2025年

作者： Shu Xu Zimou Feng Linyun Bao Zhiyang Zhu Shenyang Wu Yi Yang Xinglin Lu State Key Laboratory of Advanced Environmental Technology Department of Environmental Science and Engineering University of Science and Technology of China 230026 Hefei China SCNU Environmental Research Institute Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety & MOE Key Laboratory of Theoretical Chemistry of Environment School of Environment South China Normal University 510006 Guangzhou China National Synchrotron Radiation Laboratory University of Science and Technology of China 230026 Hefei China

Complete degradation of organic pollutants in water often demands substantial energy and chemical inputs. In this study, we introduce a novel nanomotor-assisted ultrafiltration (UF) system for highly selective and efficient removal of micropollutants. These nanomotors, engineered by encapsulating catalase (CAT) and horseradish peroxidase (HRP) enzymes within ZIF-8 metal-organic frameworks, exhibit self-propulsion and catalytic oxidation capabilities. In treating phenolic pollutant-contaminated water, ZIF-8 acts as a protective and selective gate that shields enzymes from background interference and enriches hydrophobic phenolic compounds (XLogP > 2), enabling up to 99.5% removal efficiency by selective oxidation of targeted species. Notably, HRP-mediated oxidation generates phenoxy radicals, which couple and polymerize into hydrophobic oligomers that bind to the ZIF-8 surface and are effectively separated via low-pressure UF. This system minimizes energy input while leveraging enzymatic polymerization as a natural pathway for pollutant transformation, paving the way for advanced oxidation-filtration technologies as a sustainable solution for water treatment.

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Correction to:High‑Index‑Faceted Ni3S2 Branch Arrays as Bifunctional Electrocatalysts for Efficient Water Splitting

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Nano-Micro Letters 2021年第1期13卷 317-318页

作者： Shengjue Deng Kaili Zhang Dong Xie Yan Zhang Yongqi Zhang Yadong Wang Jianbo Wu Xiuli Wang Hong Jin Fan Xinhui Xia Jiangping Tu State Key Laboratory of Silicon Materials Key Laboratory of Advanced Materials and Applications for Batteries of Zhejiang Provinceand Department of Materials Science and EngineeringZhejiang UniversityHangzhou 310027People’s Republic of China Guangdong Engineering and Technology Research Center for Advanced Nanomaterials School of Environment and Civil EngineeringDongguan University of TechnologyDongguan 523808People’s Republic of China School of Physical and Mathematical Sciences Nanyang Technological UniversitySingapore 637371Singapore School of Engineering Nanyang PolytechnicSingapore 569830Singapore Zhejiang Provincial Key Laboratory for Cutting Tools Taizhou UniversityTaizhou 318000People’s Republic of China

In the original publication,Figure S4 is an ancillary image to compare the specific surface areas of TiO2/Ni3S2 and Ni3S2 samples and it was incorrectly *** better serve our readers,the correct figure is provided in this *** BET values are correct and *** corresponding figure caption,data analysis and conclusions are not affected and thus not to be *** authors would like to apologize for any inconvenience caused.

关键词： Ni3S2 figure correct

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Optimization of a unileg thermoelectric generator by the combination of Taguchi method and evolutionary neural network for green power generation

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Applied Thermal engineering 2024年第PartA期248卷

作者： Chen, Wei-Hsin Huang, Tzu-Hsuan Luo, Ding Jin, Liwen Maduabuchi, Chika Lamba, Ravita Hoang, Anh Tuan Department of Aeronautics and Astronautics National Cheng Kung University Tainan701 Taiwan Research Center for Smart Sustainable Circular Economy Tunghai University Taichung407 Taiwan Department of Mechanical Engineering National Chin-Yi University of Technology Taichung411 Taiwan College of Electrical Engineering & New Energy China Three Gorges University Yichang443000 China Key Laboratory for Thermal Science and Power Engineering of Ministry of Education Department of Engineering Mechanics Tsinghua University Beijing100084 China Institute of Building Environment and Sustainable Technology School of Human Settlements and Civil Engineering Xi'an Jiaotong University Xi'an China Enugu State Nsukka410001 Nigeria Department of Electrical Engineering Malaviya National Institute of Technology Jaipur Rajasthan Jaipur302017 India Faculty of Automotive Engineering Dong A University Danang Viet Nam

The performance optimization of thermoelectric generators (TEGs) is crucial for efficiently converting waste heat to green energy. This study analyzes the performance and thermal stress of a unileg thermoelectric module by combining the Taguchi method, analysis of variance (ANOVA), and artificial neural network. The results of the Taguchi method indicate that the leg geometry exerts a negligible effect on output power (OP) and conversion efficiency but significantly affects the thermal stress (TS). The analysis of the objective function (maximum OP-to-maximum TS ratio, denoted by P/S) reveals the optimal configuration results in a P/S value of 0.01255 W‧MPa−1, accompanied by a maximum output power (2.9 W) and thermal stress (232.32 MPa). The maximum thermal stress of the rectangle TE leg (182.29 MPa) is less than that of the triangle (279.85 MPa) by 34.86 %. The Taguchi method, analysis of variance, and artificial neural network have the same sensitivity order on P/S with leg height > leg geometry > copper thickness > ceramic thickness. Furthermore, an evolutionary neural network (ENN) method with five-step optimization from 4000 datasets has been developed to improve machine learning prediction. The average error of P/S value and conversion efficiency from ENN is 1.61 % and 0.35 %, respectively. However, for the ENN predictions, the relative errors of P/S value and efficiency between predictions and simulations are 1.28 % and 0.19 %, respectively. In conclusion, this work has demonstrated the numerical optimization of the performance of unileg TEM for the first time. The use of ENN can predict the performance of TEM precisely, saving running time and markedly reducing computational costs. Moreover, the results are conducive to designing high-performance TEGs with long lifespans. © 2024 Elsevier Ltd

关键词： Taguchi methods

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The Loading Sequence of Ag and Cu Determines the Anchoring State of Ag in the Agcu/Al2O3 Catalyst and Thus the Nh3-Sco Performance

SSRN

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SSRN 2023年

作者： Li, Zhao Li, Jiaxin Wang, Chunxue Pang, Yatong Zhang, Changbin Li, Kai Ning, Ping Wang, Fei Faculty of Environmental Science and Engineering Kunming University of Science and Technology Kunming650500 China National-Regional Engineering Center for Recovery of Waste Gases from Metallurgical and Chemical Industries Kunming650500 China State Key Joint Laboratory of Environment Simulation and Pollution Control Research Center for Eco-Environmental Sciences Chinese Academy of Sciences Beijing100085 China University of Chinese Academy of Sciences Beijing100049 China

In recent times, ammonia (NH3) has garnered attention as a contributor to haze formation. The selective catalytic oxidation of ammonia (NH3-SCO) utilizing catalysts based on Ag has emerged as a compelling, ecologically benign technique for NH3 purification. Nonetheless, the effectiveness of such catalysts, which rely on Ag nanoparticles (AgNPs) as the active sites, necessitates a substantial silver content to facilitate the formation of AgNPs, thereby enabling the favorable interaction with NH3. In this current study, we have successfully employed Cu as a substitute for Ag species already affixed to nano γ-Al2O3, leading to the aggregation of a significant quantity of Ag formation AgNPs through a straightforward impregnation technique. This strategic utilization of Cu has facilitated the enhancement of NH3-SCO activity within the catalyst, concomitantly affording a reduction in catalyst cost. The sequence of loading significantly impacts the dispersion of Ag on the support surface of γ-Al2O3, attributed to the akin localization points of Cu and Ag anchors. Intriguingly, Cu's behavior remains unaffected by the loading sequence. Consequently, this phenomenon facilitates the prolific formation of AgNPs at reduced Ag loading levels. © 2023, The Authors. All rights reserved.

关键词： Silver nanoparticles

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