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Surface structure engineering of PtCu clusters enhances the performance of propane dehydrogenation

Nano Research 2025年第5期18卷 165-176页

作者： Jiajin Lin Jin Yang Tan Li Shuaiqi Zhao Wei-Hsiang Huang Chi-Liang Chen Yun Zhao Shumin Liu Lin Gu Leneng Yang Yongcai Qiu Guangxu Chen School of Environment and Energy State Key Laboratory of Luminescent Materials and DevicesGuangdong Provincial Key Laboratory of Atmospheric Environment and Pollution ControlSouth China University of TechnologyGuangzhou 510000China Faculty of Chemical Engineering Kunming University of Science and TechnologyKunming 650500China School of Chemistry and Chemical Engineering Wuhan Textile UniversityWuhan 430200China "National Synchrotron Radiation Research Center" Graduate Institute of Applied Science and Technology"National Taiwan University of Science and Technology"(NTUST)Hsinchu 30076 National Center of Electron Microscopy in Beijing School of Materials Science and EngineeringTsinghua UniversityBeijing 100190China Guangdong Chengyi Environmental Technology Corp. Shaoguan 512158China

Highly dispersed Pt-based single-atom alloys have been extensively studied in heterogeneous catalysis,particularly for propane dehydrogenation(PDH).However,Pt-based single-atom alloys still suffer from sintering and coke deposition in high-temperature dehydrogenation ***,the atomic structure of the active sites of Pt-based single-atom alloys for PDH remains elusive,and the solid chemistry occurring on the catalyst surface is still under *** this work,we discovered that the coordination environment of the single Pt atom for Pt_(1)Cu_(30)cluster catalysts,encapsulated with a carbon layer,can be regulated by sequential heat treatment under air and H_(2)*** Pt_(1)Cu_(30)cluster catalyst,with a single Pt atom coordinated by 9 Cu atoms,is similar to the surface structure of Pt_(1)Cu_(3)(111)and exhibits excellent catalytic activity and stability at high temperatures,maintaining propane conversion of 43.5%and propylene selectivity of 98.2%,with a deactivation constant(Kd)of 0.01 h^(−1),even after 32 h of testing at 600℃.The combination of structural characterizations and temperature programmed analysis reveal that the single Pt atom coordinated by around 9 Cu atoms of the Pt_(1)Cu_(30)cluster catalyst,serves as the vital active sites for C-H cleavage of propane and propylene desorption due to their electron-rich and geometrically isolated Pt atom ***,the thin carbon layer coated on the surface of Pt_(1)Cu_(30)clusters can effectively reduce the desorption energy of propylene,thereby avoiding further dehydrogenation and improving the propylene yield and catalytic stability.

关键词： single-atom alloys PtCu alloy surface structure propane dehydrogenation catalyst regeneration

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单原子在铝合金中的扩散迁移行为:可解释机器学习加速第一原理计算方法

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science China Materials 2024年第4期67卷 1140-1149页

作者：黄敬涛薛景腾李明伟程源来忠红胡津周飞曲囡刘勇朱景川 School of Materials Science and Engineering Harbin Institute of TechnologyHarbin 150001China National Key Laboratory for Precision Hot Processing of Metals Harbin Institute of TechnologyHarbin 150001China National Key Laboratory of Science and Technology on Advanced Composites in SpecialEnvironments Harbin Institute of TechnologyHarbin 150001 China Center for Analysis Measurement and ComputingHarbin Institute of TechnologyHarbin 150001China State Key Laboratory for Environment-friendly Energy Materials School of Materials Science and EngineringSouthwest University of Science and TechnologyMianyang 621010China

本文采用机器学习加速第一原理计算的方法,研究了铝基体中单原子的扩散迁移行为.建立铝基体中三十多种单原子扩散迁移行为的小样本数据集,以原子半径、离子半径和第一电离能等固有参数作为输入特征值,合金原子与空位之间的相互作用能以... 详细信息

本文采用机器学习加速第一原理计算的方法,研究了铝基体中单原子的扩散迁移行为.建立铝基体中三十多种单原子扩散迁移行为的小样本数据集,以原子半径、离子半径和第一电离能等固有参数作为输入特征值,合金原子与空位之间的相互作用能以及合金原子在铝基体中的扩散势垒作为输出参数.通过相关性分析初步确定描述符与预测目标之间的关系,并利用递归特征消除法确定不同目标的输入特征和描述符数量.通过交叉验证证明所选模型的先进性,并进行微调以优化其性能.为了验证其效率和准确性,CatBoost模型经过了传统算法的严格测试.利用训练有素的模型预测周期表中其他单原子在铝基体中的扩散迁移行为.机器学习加速第一原理计算的结果可为进一步开发新型铝合金提供理论依据.

关键词：机器学习扩散迁移交叉验证输出参数单原子第一原理计算原子半径小样本数据

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Mycorrhizae and sustainable soil solutions

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Pedosphere 2024年第2期34卷 267-268页

作者： Junli HU Fayuan WANG Junling ZHANG Liangdong GUO Marcel G.A.VAN DER HEIJDEN State Key Laboratory of Soil and Sustainable Agriculture Institute of Soil ScienceChinese Academy of SciencesNanjing 210008(China) College of Environment and Safety Engineering Qingdao University of Science and TechnologyQingdao 266042(China) National Academy of Agriculture Green Development State Key Laboratory of Nutrient Use and ManagementCollege of Resources and Environment SciencesChina Agricultural UniversityBeijing 100193(China) State Key Laboratory of Microbial Diversity and Innovative Utilization Institute of MicrobiologyChinese Academy of SciencesBeijing 100101(China) Department of Agroecology and Environment Plant-Soil InteractionsAgroscopeZürich 8046(Switzerland) Department of Plant and Microbial Biology University of ZürichZürich 8057(Switzerland)

Mycorrhizae are the most widespread symbioses in nature,involving plants and specialized soil *** recent years,mycorrhizal research has made remarkable *** in genomics and other modern techniques have opened new windo... 详细信息

关键词： soil specialized sustainable

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Automatic recognition of tweek atmospherics and plasma diagnostics in the lower ionosphere with the machine learning method

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Earth and Planetary Physics 2023年第3期7卷 407-413页

作者： Mao Zhang GaoPeng Lu HaiLiang Huang ZhengWei Cheng YaZhou Chen Steven A.Cummer JiaYi Zheng JiuHou Lei School of Earth and Space Sciences University of Science and Technology of ChinaHefei 230026China Key Laboratory of Atmospheric Optics Anhui Institute of Optics and Fine MechanicsHefei Institutes of Physical ScienceChinese Academy of SciencesHefei 230031China Collaborative Innovation Center on Forecast and Evaluation of Meteorological Disasters Nanjing University of Information Science and TechnologyNanjing 210044China State Key Laboratory of Space Weather National Space Science CenterChinese Academy of SciencesBeijing 100190China National Key Laboratory on Electromagnetic Environment Effects Army Engineering UniversityShijiazhuang CampusShijiazhuang 050003China Electrical and Computer Engineering Department Duke UniversityDurhamNC 27708USA

Tweek atmospherics are extremely low frequency and very low frequency pulse signals with frequency dispersion characteristics that originate from lightning discharges and that propagate in the Earth–ionosphere waveguide over long *** this study,we developed an automatic method to recognize tweek atmospherics and diagnose the lower ionosphere based on the machine learning *** differences(automatic−manual)in each ionosphere parameter between the automatic method and the manual method were−0.07±2.73 km,0.03±0.92 cm^(−3),and 91±1,068 km for the ionospheric reflection height(h),equivalent electron densities at reflection heights(Ne),and propagation distance(d),***,the automatic method is capable of recognizing higher harmonic tweek *** evaluation results of the model suggest that the automatic method is a powerful tool for investigating the long-term variations in the lower ionosphere.

关键词： machine learning method tweek atmospherics reflection height D-region ionosphere

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Construction of iron oxyhydroxide/nickel sulfate hydroxide hybrid electrocatalyst for efficient oxygen evolution

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Rare Metals 2024年第12期43卷 6394-6404页

作者： Bing-Rong Guo Meng-Xin Chen Si-Wei Li Ru-Hai Gao Bo-Han Sang Xiao-Qian Ren Zhe Liu Xun Cao Jia Liu Ya-Ni Ding Ping Xu Yao Xu Institute of Industrial Catalysis School of Chemical Engineering and TechnologyXi’an Jiaotong UniversityXi’an710049China MIIT Key Laboratory of Critical Materials Technology for New Energy Conversion and Storage School of Chemistry and Chemical EngineeringHarbin Institute of TechnologyHarbin150001China Institute of Neuroscience Translational Medicine InstituteHealth Science CenterXi’an Jiaotong UniversityXi’an710061China Institute of Sustainability for Chemicals Energy and Environment(ISCE2)Agency for ScienceTechnology and Research(A*STAR)Jurong Island627833Singapore Instrumental Analysis Center Xi’an Jiaotong UniversityXi’an710049China Beijing National Laboratory for Molecular Sciences College of Chemistry and Molecular Engineering and College of Engineeringand BIC-ESATPeking UniversityBeijing100871China

Transition metal(TM)basic salts have been recognized as high-efficiency catalysts for electrocatalytic oxygen evolution reaction(OER),which is of great importance for producing clean hydrogen ***,novel OER electrocatalyst consisting of iron oxyhydroxide/nickel sulfate hydroxide nanobelts loaded on nickel foam(FeOOH/NiSH/NF)is reported,synthesized via a facile solvothermal-hydrolysis ***,the optimized FeOOH/NiSH/NF catalyst exhibits outstanding performance,requiring only a low overpotential of 265 mV to drive a current density of 50 mA·cm^(-2)for OER in alkaline *** evolution of the catalysts under the OER process has been investigated through multiple characterization methods,and SO_(4)^(2-)adsorbed FeOOH/NiOOH is demonstrated to be the true active *** essential role of incorporated FeOOH has been further elucidated by using density functional theory(DFT)*** work not only reports a novel NiSH-based catalyst towards OER,but also provides insights for understanding the structure-property of TM basic saltbased hybrid OER catalysts.

关键词： Nickel sulfate hydroxide(NiSH) FeOOH Electrocatalysis Oxygen evolution reaction(OER) Hybrid catalyst

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Heavy Ion-Induced Permanent Damage in Cascode Power GaN HEMTs

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IEEE Transactions on Nuclear science 2025年

作者： Peng, Chao Yang, Jianqun Lei, Zhifeng Cui, Xiuhai Ma, Teng Zhang, Zhangang He, Yujuan Chen, Yiqiang Lu, Guoguang Hu, Xianghong China Electronic Product Reliability and Environmental Testing Research Institute Science and Technology on Reliability Physics and Application of Electronic Component Laboratory Guangzhou511370 China Harbin Institute of Technology National Key Laboratory of Material Behavior and Evaluation Technology in Space Environment Harbin150001 China

Heavy ion-induced leakage current increase is reported for a cascode gallium nitride (GaN) high-electron-mobility-transistor (HEMT), which is related to the damages between gate and drain of the embedded depletion-mode GaN HEMT. The local high temperature-induced damage near the drain contact may be directly related to the leakage degradation. The influences of drain bias and temperature on the leakage increase degradation are investigated by irradiation experiments and technology computer aided design (TCAD) simulations. Radiation-induced gate rupture is also observed for the cascode GaN HEMT during Bi ion irradiation with high linear energy transfer (LET) value. Although the depletion-mode GaN HEMT is the most sensitive component to heavy ion irradiation in the cascode GaN HEMT system, there is also a risk of failure for the Si MOSFET component. © 1963-2012 IEEE.

关键词： Gallium nitride

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Characterization and prediction of tailpipe ammonia emissions from in-use China 5/6 light-duty gasoline vehicles

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Frontiers of environmental science & engineering 2024年第1期18卷 71-81页

作者： Lewei Zeng Fengbin Wang Shupei Xiao Xuan Zheng Xintong Li Qiyuan Xie Xiaoyang Yu Cheng Huang Qingyao Hu Yan You Ye Wu College of Chemistry and Environmental Engineering Shenzhen UniversityShenzhen 518060China State Key Laboratory of Engines Tianjin UniversityTianjin 300072China China Automotive Technology and Research Center Co.Ltd. Tianjin 300300China CATARC Automotive Test Center(Guangzhou)Co.Ltd. Guangzhou 511300China State Environmental Protection Key Laboratory of Cause and Prevention of Urban Air Pollution Complex Shanghai Academy of Environmental SciencesShanghai 200233China National Observation and Research Station of Coastal Ecological Environments in Macao Macao Environmental Research InstituteMacao University of Science and TechnologyMacao SAR 999078China School of Environment State Key Joint Laboratory of Environment Simulation and Pollution ControlTsinghua UniversityBeijing 100084China

On-road tailpipe ammonia (NH3) emissions contribute to urban secondary organic aerosol formation and have direct or indirect adverse impacts on the environment and human health. To understand the tailpipe NH3 emission characteristics, we performed comprehensive chassis dynamometer measurements of NH3 emission from two China 5 and two China 6 light-duty gasoline vehicles (LDGVs) equipped with three-way catalytic converters (TWCs). The results showed that the distance-based emission factors (EFs) were 12.72 ± 2.68 and 3.18 ± 1.37 mg/km for China 5 and China 6 LDGVs, respectively. Upgrades in emission standards were associated with a reduction in tailpipe NH3 emission. In addition, high NH3 EFs were observed during the engine warm-up period in cold-start cases owing to the intensive emissions of incomplete combustion products and suitable catalytic temperature in the TWCs. Notably, based on the instantaneous NH3 emission rate, distinct NH3–emitting events were detected under high/extra high velocity or rapid acceleration. Furthermore, NH3 emission rates correlated well with engine speed, vehicle specific power, and modified combustion efficiency, which were more easily accessible. These strong correlations were applied to reproduce NH3 emissions from China 5/6 LDGVs. The predicted NH3 EFs under different dynamometer and real-world cycles agreed well with existing measurement and prediction results, revealing that the NH3 EFs of LDGVs in urban routes were within 8.55–11.62 mg/km. The results presented here substantially contribute to improving the NH3 emission inventory for LDGVs and predicting on-road NH3 emissions in China.

关键词： NH3 instantaneous emissions Catalytic temperature Vehicle specific power Combustion efficiency Emission prediction

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Study on strength properties and soil behaviour type classification of Huanghe River Delta silts based on variable rate piezocone penetration test

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Acta Oceanologica Sinica 2023年第11期42卷 146-158页

作者： Yunuo Liu Guoqing Lin Yan Zhang Shenggui Deng Lei Guo Tao Liu Shandong Provincial Key Laboratory of Marine Environment and Geological Engineering Ocean University of ChinaQingdao 266100China College of Environmental Science and Engineering Ocean University of ChinaQingdao 266100China Key Lab of Submarine Geosciences and Prospecting Techniques MOE China Ocean University of ChinaQingdao 266100China College of Marine Geosciences Ocean University of ChinaQingdao 266100China Institute of Marine Science and Technology Shandong UniversityQingdao 266237China Qingdao National Laboratory for Marine Science and Technology Qingdao 266100China

Fine-grained silt is widely distributed in the Huanghe River Delta(HRD)in China,and the sedimentary structure is complex,meaning that the clay content in the silt is *** piezocone penetration test(CPTu)is the most widely approved in situ test *** can be used to invert soil properties and interpret soil *** analyse the strength properties of surface sediments in the HRD,this paper evaluated the friction angle and its inversion formula through the CPTu penetration test and monotonic simple shear test and other soil unit *** evaluation showed that the empirical formula proposed by Kulhawy and Mayne had better prediction and inversion *** HRD silts with clay contents of 9.2%,21.4%and 30.3%were selected as samples for the CPTu variable rate penetration *** results show as follows.(1)The effects of the clay content on the tip resistance and the pore pressure of silt under different penetration rates were *** tip resistance Q_t is strongly dependent on the clay content of the silt,the B_(q)value of the silt tends to 0 and is not significantly affected by the change of the CPTu penetration rate.(2)Five soil behavior type classification charts and three soil behavior type indexes based on CPTu data were *** results show that the soil behavior type classification chart based on soil behavior type index ISBT,the Robertson 2010 behavior type classification chart are more suitable for the silty soil in the HRD.

关键词： Huanghe River Delta piezocone penetration test silty soils clay content friction angle soil behaviour type classification

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Hydrochars as slow-release phosphorus fertilizers for enhancing corn and soybean growth in an agricultural soil

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Carbon Research 2024年第1期3卷 1-19页

作者： Khosravi, Anahita Yuan, Yanfei Liu, Qiang Zheng, Hao Hashemi, Masoud Tang, Yuanzhi Xing, Baoshan Stockbridge School of Agriculture University of Massachusetts AmherstMA01003 United States Institute of Coastal Environmental Pollution Control College of Environmental Science and Engineering Ministry of Education Key Laboratory of Marine Environment and Ecology Frontiers Science Center for Deep Ocean Multispheres and Earth System Ocean University of China Qingdao266100 China Laboratory for Marine Ecology and Environmental Science Qingdao National Laboratory for Marine Science and Technology Qingdao266237 China School of Earth and Atmospheric Sciences Georgia Institute of Technology AtlantaGA30332–0340 United States

Hydrochars as carbonaceous amendments rich in porous structures and nutrients can be used as promising slow-release fertilizers and soil health amendments. Yet, the performance of hydrochars derived from different feedstocks in improving crop plant growth and soil phosphorus (P) availability is not well understood. Here, a batch of sewage sludge (SS) and chicken manure (CM) derived hydrochars (SSCs and CMCs) were produced at 125 and 225 °C (SS125/225 and CM125/225) to investigate their characteristics and performances in improving the seedling growth of two representative crops, soybean (Glycine max) and corn (Zea mays), as well as the P availability in an acidic agricultural soil in comparison with triple super phosphate (TSP), a conventional P fertilizer. Compared with CMCs, SSCs with more porous and rougher surfaces contained relatively lower contents of carbon (C;32.3–33.3%), hydrogen (H;3.9–4.69%), and potassium (K;29.2–51 mg g−1), but higher contents of P (37.4–85.4%) and nitrogen (N;2.26–4.9%), as well as more O-containing and N-containing functional groups. The impacts of hydrochars on soybean and corn growth showed distinct variations. The application of SSCs showed little effect on soybean growth (i.e., biomass, chlorophyl contents, and number of leaves), while CMCs significantly increased its total dry biomass by 23.2–66.2%. For corn, both SSCs and CMCs increased the total dry biomass by 32.8–92.4% and 21.8–69.7%, respectively, compared to those in the un-amended soils. In addition, compared with the higher temperature hydrochars (SS225 and CM225), the lower temperature ones (SS125 and CM125) increased the total dry biomass by 24.6% and 34.9% for soybean and 44.8% and 39.3% for corn, respectively. The significant improvement in crop growth by hydrochars was mainly due to the direct nutrient supply (particularly P) by the hydrochars, which was supported by the increased soil and shoot P concentrations. Moreover, hydrochar application led to a rise in soil

关键词： Manures

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Degradation of odorous 2,4,6-trichloroanisole in chlorinated water by UV-LED/chlorination: kinetics and influence factors

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environmental science and Pollution Research 2023年第15期30卷 44325-44336页

作者： Zhang, Yun-Lu Lin, Yi-Li Zhang, Tian-Yang Lu, Yong-Shan Zhou, Xiao-Yang Liu, Zhi Zheng, Zheng-Xiong Xu, Meng-Yuan Xu, Bin State Key Laboratory of Pollution Control and Resource Reuse Key Laboratory of Yangtze Water Environment Ministry of Education College of Environmental Science and Engineering Tongji University Shanghai200092 China Shanghai Institute of Pollution Control and Ecological Security Shanghai200092 China Department of Safety Health and Environmental Engineering National Kaohsiung University of Science and Technology Kaohsiung824 Taiwan

2,4,6-Trichloroanisole (2,4,6-TCA) has aroused a special concern for their odor problem and potential threats. In this study, the degradation of 2,4,6-TCA by UV/chlorination with different UV sources was compared, including low-pressure mercury lamp (LPUV, 254 nm) and ultraviolet light-emitting diode (UV-LED, 275 and 285 nm). The maximum removal of 2,4,6-TCA can be achieved by 275-nm UV-LED/chlorination in neutral and alkaline conditions which was 80.0%. The reaction, kinetics, and water matrix parameters on 2,4,6-TCA degradation were also evaluated. During UV-LED (275 nm)/chlorination, 2,4,6-TCA degradation was mainly caused by direct UV photolysis and indirect hydroxyl radical (HO·) oxidation, while reactive chlorine radicals (RCSs) had a negligible contribution. The second-order rate constant between HO· and 2,4,6-TCA was determined as 3.1 × 109 M−1 s−1. Increasing initial chlorine dosage and decreasing 2,4,6-TCA concentration or pH value significantly promoted 2,4,6-TCA degradation during UV/chlorination process. The presence of natural organic matter (NOM) and bicarbonate (HCO3−) can inhibit 2,4,6-TCA degradation, while chloride ion (Cl−) had a negligible effect. The kinetic model for 2,4,6-TCA degradation was established and validated, and the degradation pathways were proposed based on the identified intermediates. Furthermore, UV-LED (275 nm)/chlorination also exhibited a promising effect on 2,4,6-TCA removal in real water, which can be used to control 2,4,6-TCA pollution and odor problems. © 2023, The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature.

关键词： Alkalinity

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