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Pt confined in Sn-ECNU-46 zeolite for efficient alkane dehydrogenation

Chinese Journal of Structural Chemistry 2024年第4期43卷 15-23页

作者： Naihong Wang Longkang Zhang Yejun Guan Peng Wu Hao Xu Shanghai Key Laboratory of Green Chemistry and Chemical Processes School of Chemistry and Molecular Engineering East China Normal UniversityShanghai200062China State Key Laboratory of Petroleum Molecular&Process Engineering SKLPMPE Sinopec Research Institute of Petroleum Processing Co.LTD.Beijing100083China East China Normal University Shanghai200062China

Highly dispersed and stable Pt-based catalysts play a crucial role in constructing efficient catalytic systems for alkane *** this study,a novel bimetallic Pt-Sn catalyst confined in extra-large-pore ECNU-46 zeolite(denoted as Pt/Sn-ECNU-46)is prepared by *** open-site framework Sn species((SiO)_(3)Sn-OH)serve as anchors to interact with Pt species,favoring the high dispersion of *** the other hand,the framework Sn species act as the second metal to regulate the geometrical and electronic environment of Pt species,thus suppressing their ***/Sn-ECNU-46 achieves a good performance in propane dehy-drogenation(PDH)reaction with high initial propane conversion(46%)and propylene selectivity(>99%)as well as regeneration *** addition,Pt/Sn-ECNU-46 is also active in the dehydrogenation of *** study explores the application of extra-large-pore zeolite as support in constructing metal-confined catalysts for alkane dehydrogenation.

关键词： Alkane dehydrogenation Heteroatom-containing zeolite Zeolite confined catalyst Pt-based catalyst

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Multi-site observation of large-scale eddies in the surface layer of the Loess Plateau

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Science China Earth Sciences 2023年第4期66卷 871-881页

作者： Jinbei CHEN Xiaowen CHEN Wei JIA Ye YU Suping ZHAO Key Laboratory of Land Surface Process and Climate Change in Cold and Arid Regions Northwest Institute of Eco-Environment and ResourcesChinese Academy of SciencesLanzhou 730000China Key Laboratory of Middle Atmosphere and Global Environment Observation(LAGEO) Institute of Atmospheric PhysicsChinese Academy of SciencesBeijing 100029China Mechanical Engineering Department Pennsylvania State UniversityState College 16802USA

This article aims to build a theory of atmospheric boundary layer turbulence under complex conditions. To achieve this goal, we constructed a multi-site observation and analysis method of atmospheric turbulence based on related *** method first requires verification for the ergodicity of the full-scale observation of surface-layer turbulence, which proves that eddies within a scale of 60 min during a four-site observation can easily meet ergodicity. Meanwhile, by applying the second-order structure function for the horizontal wind speed turbulence of a single site and upstream and downstream points, we verified the ergodicity of the turbulence observation. Comparing the turbulence spectrum to the second-order structure function for the horizontal wind speed from the four-site observation, a relatively high accordance was observed, proving the reasonability of the multi-site observation. Moreover, compared to the single-site observation, the four-site observation can improve the estimation accuracy of the surface-layer turbulence spectrum and vertical turbulent flux. As a result, we can describe the threedimensional structure of turbulence more accurately and comprehensively by combining analytical data from single-site and four-site observations. In summary, the multi-site turbulence observation method shows that the horizontal and vertical wind turbulence of the Baimiao plateau has a typical structure of a turbulence spectrum with clear spectral gaps. The result is in accordance with the scale of the turbulence spectral gaps obtained from the 6 h data. The horizontal wind speed is under the influence of the terrain, so its spectrum of large-scale eddies has higher fluctuations, but its spectral gaps can still be clearly distinguished. Although the spectral gaps of the temperature spectrum are not distinguishable, they still have the same scale as the spectral gap of the vertical and horizontal turbulence spectrum. Moreover, the temperature spectrum poss

关键词： Larger-scale eddy Complex condition Ergodicity of turbulence observation Structure function Turbulence spectrum

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Effects of zinc on χ-Fe_(5)C_(2) for carbon dioxide hydrogenation to olefins:Insights from experimental and density function theory calculations

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Chinese Journal of Chemical engineering 2023年第2期54卷 206-214页

作者： Xianglin Liu Minjie Xu Chenxi Cao Zixu Yang Jing Xu State Key Laboratory of Chemical Engineering East China University of Science and TechnologyShanghai 200237China Maoming Branch R&D Institute SINOPECMaoming 525000China Key Laboratory of Smart Manufacturing in Energy Chemical Process Ministry of EducationEast China University of Science and TechnologyShanghai 200237China

Production of light olefins from CO_(2), the primary greenhouse gases, is of great importance to mitigate the adverse effects of CO_(2) emission on environment and to supply the value-added products from nonpetroleum resource. However, development of robust catalyst with controllable selectivity and stability remains a challenge. Herein, we report that Zn-promoted Fe catalyst can boost the stable and selective production of light olefins from CO_(2). Specifically, the Zn-promoted Fe exhibits a highly stable activity and olefin selectivity over 200 h time-on-stream compared to the unpromoted Fe catalyst, primarily owing to the preservation of active χ-Fe_(5)C_(2) phase. Structural characterizations of the spent catalysts suggest that Zn substantially regulates the content of iron carbide on the surface and suppresses the reoxidation of bulk iron carbide during the reaction. DFT calculations confirm that adsorption of surface carbon atoms and graphene-like carbonaceous species are not thermochemically favored on Zn-promoted Fe catalyst. Carbon deposition by CAC coupling reactions of two surface carbon atoms and dehydrogenation of CH intermediate are also inhibited. Furthermore, the effects of Zn on antioxidation of iron carbide were also investigated. Zn favored the hydrogenation of surface adsorbed oxygen atoms to H_(2)O and the desorption of H_(2)O, which reduces the possibility of surface carbide being oxidized by the chemisorbed oxygen.

关键词： Reaction engineering χ-Fe_(5)C_(2) Zn promoter Carbon dioxide Hydrogenation Density function theory

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GenoHoption: Bridging Gene Network Graphs and Single-Cell Foundation Models

GenoHoption: Bridging Gene Network Graphs and Single-Cell Fo...

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2024 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2024

作者： Cheng, Jiabei Li, Jiachen Yang, Kaiyuan Shen, Hongbin Yuan, Ye Shanghai Jiaotong University School of Electronic Information and Electrical Engineering Department of Automation Shanghai China Chinese Academy of Sciences Key Laboratory of Biopharmaceutical Preparation and Delivery Beijing China Institute of Process Engineering Chinese Academy of Sciences State Key Laboratory of Biochemical Engineering Beijing China

ISBN: (纸本)9798350386226

The remarkable success of foundation models has sparked growing interest in their application to single-cell biology. Models like Geneformer and scGPT promise to serve as versatile tools in this specialized field. However, representing a cell as a sequence of genes remains an open question since the order of genes is interchangeable. Injecting the gene network graph offers gene relative positions and compact data representation but poses a dilemma: limited receptive fields without in-layer message passing or parameter explosion with message passing in each layer. To pave the way forward, we propose GenoHoption, a new computational framework for single-cell sequencing data that effortlessly combines the strengths of these foundation models with explicit relationships in gene networks. We also introduce a constraint that lightens the model by focusing on learning the predefined graph structure while ensuring further hops are deducted to expand the receptive field. Empirical studies show that our model improves by an average of 1.27% on cell-type annotation and 3.86% on perturbation prediction. Furthermore, our method significantly decreases computational overhead. Overall, GenoHoption can function as an efficient and expressive bridge, connecting existing single-cell foundation models to gene network graphs.1 © 2024 IEEE.

关键词： Gene Network Graphs Graph Diffusion Single-cell Foundation Models

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The use of a ternary metal sulfide loading on carbon fibers as the sulfur host for high performance low-temperature lithium sulfur batteries

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新型炭材料(中英文) 2025年第1期40卷 167-177页

作者： HE Xin ZUO Huai-yang XIAO Ru QU Zhuo-yan SUN Zhen-hua WANG Bao Li Feng School of Materials Science and Engineering University of Science and Technology of ChinaShenyang 110016China Shenyang National Laboratory for Materials Science Institute of Metal ResearchChinese Academy of SciencesShenyang 110016China State Key Laboratory of Biochemical Engineering Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China

The use of lithium-sulfur(Li-S)batteries is limited by sulfur redox reactions involving multi-phase transformations,especially at *** address this issue,we report a material(FCNS@NCFs)consisting of nitrogen-doped carbon fibers loaded with a ternary metal sulf-ide((Fe,Co,Ni)_(9)S_(8))for use as the sulfur host in Li-S *** materi-al was prepared using transfer blot filter paper as the carbon precursor,thiourea as the source of nitrogen and sulfur,and FeCl_(3)·6H_(2)O,CoCl_(2)·6H_(2)O and NiCl_(2)·6H_(2)O as the metal ion *** was synthesized by an impreg-nation method followed by *** nitrogen doping significantly in-creased the conductivity of the host,and the metal sulfides have excellent catalytic *** calculations,and adsorption and deposition experiments show that active sites on the surface of FCNS@NCFs selectively adsorb polysulfides,facilitate rapid adsorption and conversion,prevent cathode passivation and inhib-it the polysulfide *** FCNS@NCFs used as the sulfur host has excellent electrochemical *** initial dis-charge capacity is 1639.0 mAh g^(−1) at 0.2 C and room temperature,and it remains a capacity of 1255.1 mAh g^(−1) after 100 ***−20~C,it has an initial discharge capacity of 1578.5 mAh g^(−1) at 0.2 C,with a capacity of 867.5 mAh g^(−1) after 100 *** excellent performance at both ambient and low temperatures suggests a new way to produce high-performance low-temper-ature Li-S batteries.

关键词： Lithium sulfur batteries Low temperature Transition metal sulfides Sulfur conversion kinetics

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Biphasic (Lu,Gd)_(3)Al_(5)O_(12)-based transparent nanoceramic color converters for high-power white LED/LD lighting

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Journal of Advanced Ceramics 2023年第12期12卷 2331-2344页

作者： Jie Fu Ying Zhang Shaowei Feng Mathieu Allix Cécile Genevois Emmanuel Veron Zhibiao Ma Wenlong Xu Linghan Bai Ruyu Fan Yafeng Yang Hui Wang Jianqiang Li School of Materials Science and Engineering University of Science and Technology BeijingBeijing 100083China State Key Laboratory of Mesoscience and Engineering Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China CNRS CEMHTI UPR 3079Univ.OrléansOrléans 45071France University of Chinese Academy of Sciences Beijing 100049China Beijing Key Laboratory for Advanced Powder Metallurgy and Particulate Materials University of Science and Technology BeijingBeijing 100083China

Ce doped Lu_(3)Al_(5)O_(12)(Ce:LuAG)transparent ceramics are considered as promising color converters for solid-state lighting because of their excellent luminous efficiency,high thermal quenching temperature,and good thermal ***,Ce:LuAG ceramics mainly emit green *** shortage of red light as well as the expensive price of Lu compounds are hindering their application for white *** this work,transparent(Lu,Gd)_(3)Al_(5)O_(12)–Al_(2)O_(3)(LuGAG–Al_(2)O_(3))nanoceramics with different replacing contents of Gd^(3+)(10%–50%)were successfully elaborated via a glass-crystallization *** obtained ceramics with full nanoscale grains are composed of the main LuGAG crystalline phase and secondary Al_(2)O_(3) phase,exhibiting eminent transparency of 81.0%@780 *** doping by Ce^(3+),the Ce:LuGAG–Al_(2)O_(3) nanoceramics show a significant red shift(510 nm→550 nm)and make up for the deficiency of red light component in the emission *** Ce:LuAG–Al_(2)O_(3) nanoceramics with 20%Gd^(3+)show high internal quantum efficiency(81.5%in internal quantum efficiency(IQE),96.7%of Ce:LuAG–Al_(2)O_(3) nanoceramics)and good thermal stability(only 9%loss in IQE at 150℃).When combined with blue LED chips(10 W),0.3%Ce:LuGAG–Al_(2)O_(3) nanoceramics with 20%Gd^(3+)successfully realize the high-quality warm white LED lighting with a color coordinate of(0.3566,0.435),a color temperature of 4347 K,CRI of 67.7,and a luminous efficiency of 175.8 lm·W^(−1).When the transparent 0.3%Ce:LuGAG–Al_(2)O_(3) nanoceramics are excited by blue laser(5 W·mm^(−2)),the emission peak position redshifts from 517 to 570 nm,the emitted light exhibits a continuous change from green light to yellow light,and then to orange-yellow light,and the maximum luminous efficiency is up to 234.49 lm·W^(−1)(20%Gd^(3+)).Taking into account the high quantum efficiency,good thermal stability,and excellent and adjustable luminous properties,the transparent Ce:LuGAG–Al_(2)O_(3) nanoceramics w

关键词： glass crystallization (Lu,Gd)_(3)Al_(5)O_(12)(LuGAG)-Al_(2)O_(3)nanoceramics high-power WLEDs/LDs white lighting

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Trace doping realizing superior electrochemical performance in P2-type Na_(0.50)Li_(0.08)Mn_(0.60)Co_(0.16)Ni_(0.16)0_(2)cathode for sodium-ion batteries

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Chinese Chemical Letters 2023年第12期34卷 387-391页

作者： Hongying Hou Jinxu Qiu Bao Li Liang Wang Zhuangzhuang Zhang Mengmin Jia Xiaobing Lai Mingming Han Pengyao Yan Dai-Huo Liu Dongmei Dai Bao Wang Faculty of Material Science and Engineering Kunming University of Science and TechnologyKunming 650093 China Collaborative Innovation Center of Henan Province for Green Manufacturing of Fine Chemicals Key Laboratory of Green Chemical Media and ReactionsMinistry of EducationSchool of Chemistry and Chemical EngineeringHenan Normal UniversityXinxiang 453007China State Key Laboratory of Biochemical Engineering Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China

P2-type layered oxides are receiving significant interest due to their superior structure and intrinsic *** are strenuous attempts to balance the structure stability,phase transition as well as desirable electrochemical performances by inducing anion/cation ions,changing morphology,adjusting valence,*** this work,several same-period elements of Sc,Ti,V,Cr,Fe,Cu and Zn are doped into Na_(0.50)Li_(0.08)Mn_(0.60)Co_(0.16)Ni_(0.16)O_(2)cathodes,which are manipulated by ions radii and valence state,further studied by operando X-ray powder diffraction patterns(XRD).As a result,the Cu^(2+)doped cathode performed higher rate capacities(as high as 86 mAh/g even at 10 C)and more stable structures(capacity retention of~89.4%for 100 cycles),which owing to the synergistic effect among the tightened TMO_(2)layer,enlarged d-spacing,reduce O-O electrostatic repulsion,ameliorate lattice distortion as well as mitigate ordering of Na^(+)/vacancy.

关键词： P2-type layeredoxide Same-period elements doping Rietveld refinement Operando XRD Sodium-ion battery

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Balancing electron transfer and intermediate adsorption ability of metallic Ni-Fe-RE-P bifunctional catalysts via 4f-2p-3d electron interaction for enhanced water splitting

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Journal of Energy Chemistry 2024年第7期94卷 458-465页

作者： Hong-Rui Zhao Cheng-Zong Yuan Chenliang Zhou Wenkai Zhao Lunliang Zhang Cong-Hui Li Lei Xin Fuling Wu Shufeng Ye Xiaomeng Zhang Yunfa Chen School of Rare Earths University of Science and Technology of ChinaHefei 230026AnhuiChina Jiangxi Province Research Institute of Rare Earths Ganjiang Innovation AcademyChinese Academy of SciencesGanzhou 341119JiangxiChina State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China

Balancing electron transfer and intermediate adsorption ability of bifunctional catalysts via tailoring electronic structures is crucial for green hydrogen production,while it still remains challenging due to lacking efficient ***,one efficient and universal strategy is developed to greatly regulate electronic structures of the metallic Ni-Fe-P catalysts via in-situ introducing the rare earth(RE)atoms(Ni-Fe-RE-P,RE=La,Ce,Pr,and Nd).Accordingly,the as-prepared optimal Ni-Fe-Ce-P/CC self-supported bifunctional electrodes exhibited superior electrocatalytic activity and excellent stability with the low overpotentials of 247 and 331 mV at 100 mA cm^(-2) for HER and OER,*** the assembled electrolyzer,the Ni-Fe-Ce-P/CC as bifunctional electrodes displayed low operation potential of 1.49 V to achieve a current density of 10 mA cm^(-2),and the catalytic performance can be maintained for 100 *** results combined with density functional theory(DFT)calculation reveal that Ce doping leads to electron decentralization and crystal structure distortion,which can tailor the band structures and d-band center of Ni-Fe-P,further increasing conductivity and optimizing intermediate adsorption *** work not only proposes a valuable strategy to regulate the electron transfer and intermediate adsorption of electrocatalysts via RE atoms doping,but also provides a deep under-standing of regulation mechanism of metallic electrocatalysts for enhanced water splitting.

关键词： RE atoms Electron transfer Adsorption energy Oxygen evolution Hydrogen evolution

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Review on electrochemical carbon dioxide capture and transformation with bipolar membranes

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Chinese Chemical Letters 2023年第8期34卷 114-129页

作者： Jinyun Xu Guoqiang Zhong Minjing Li Di Zhao Yu Sun Xudong Hu Jiefang Sun Xiaoyun Li Wenju Zhu Ming Li Ziqi Zhang Yu Zhang Liping Zhao Chunming Zheng Xiaohong Sun School of Chemical Engineering Tianjin Key Laboratory of Green Chemical Technology and Process EngineeringState Key Laboratory of Separation Membrane and Membrane ProcessesTiangong UniversityTianjin 300387China School of Materials Science and Engineering Key Laboratory of Advanced Ceramics and Machining TechnologyMinistry of EducationTianjin UniversityTianjin 300072China Beijing Key Laboratory of Diagnostic and Traceability Technologies for Food poisoning Beijing Center for Disease Prevention and ControlBeijing 100013China Advanced Materials Research Laboratory CNOOC Tianjin Chemical Research and Design InstituteTianjin 300131China

Anthropogenic carbon dioxide(CO_(2))emission from the combustion of fossil fuels aggravates the global greenhouse *** implementation of CO_(2)capture and transformation technologies have recently received great attention for providing a pathway in dealing with global climate *** these technologies,electrochemical CO_(2)capture technology has attracted wide attention because of its environmental friendliness and flexible operating *** membranes(BPMs)are considered as one of the key components in electrochemical devices,especially for electrochemical CO_(2)reduction and electrodialysis *** create an alkaline environment for CO_(2)capture and a stable pH environment for electrocatalysis on a single *** key to CO_(2)capture in these devices is to understand the water dissociation mechanism occurring in BPMs,which could be used for optimizing the operating conditions for CO_(2)capture and *** this paper,the references and technologies of electrochemical CO_(2)capture based on BPMs are reviewed in detail,thus the challenges and opportunities are also discussed for the development of more efficient,sustainable and practical CO_(2)capture and transformation based on BPMs.

关键词： Bipolar membranes Carbon dioxide Electrochemical capture Transformation CO_(2)reduction Electrodialysis devices Water dissociation

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Machine learning facilitated the modeling of plastics hydrothermal pretreatment toward constructing an on-ship marine litter-to-methanol plant

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Frontiers of Chemical Science and engineering 2024年第10期18卷 105-117页

作者： Yi Cheng Qiong Pan Jie Li Nan Zhang Yang Yang Jiawei Wang Ningbo Gao Department of Chemical Engineering and Applied Chemistry Aston UniversityBirmingham B47ETUK Energy and Bioproducts Research Institute Aston UniversityBirmingham B47ETUK Centre for Process Integration Department of Chemical EngineeringSchool of EngineeringThe University of ManchesterManchester M139PLUK State Key Laboratory of Coal Combustion Huazhong University of Science and TechnologyWuhan 430074China School of Energy and Power Engineering Xi’an Jiaotong UniversityXi’an 710049China

An onboard facility shows promise in efficiently converting floating plastics into valuable products,such as methanol,negating the need for regional transport and land-based *** presents an effective means of processing plastics,requiring their transformation into gasification-compatible feedstock,such as *** study explores hydrochar composition modeling,utilizing advanced algorithms and rigorous analyses to unravel the intricacies of elemental composition ratios,identify influential factors,and optimize hydrochar production *** investigation begins with decision tree modeling,which successfully captures relationships but encounters overfitting ***,the decision tree vote analysis,particularly for the H/C ratio,yielding an impressive R2 of ***,the research delves into the economic feasibility of the marine plastics-to-methanol *** payback periods,driven by fluctuating methanol prices observed over a decade(ranging from 3.3 to 7 yr for hydrochar production plants),are *** factories emerge as resilient solutions,capitalizing on marine natural gas resources while striving for near-net-zero *** comprehensive study advances our understanding of hydrochar composition and offers insights into the economic potential of environmentally sustainable marine plastics-to-methanol processes.

关键词： marine plastics hydrothermal methanol machine learning technoeconomic assessment

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