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Synergistic promotion strategy of “dual-site” and “dual-path” to enhance the C–C coupling between CO_(2) and hchO driven by photoelectrocatalysis

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Journal of Energy chemistry 2025年第1期100卷 39-49页

作者： hongqiang yang Jianfeng Zheng Guoyu Wang Yifei Gao Yatao yang Jia Li Xiaojin han Yan Cui Zhanggen huang National Key Laboratory of high Efficiency and Low Carbon Utilization of Coal Institute of Coal ChemistryChinese Academy of ScienceTaiyuan 030001ShanxiChina University of chinese Academy of Science Beijing 100049China Shenyang University of chemical Technology Shenyang 110142LiaoningChina

Photoelectrocatalytic coupling CO_(2)and volatile organic compounds (VOCs) is a promising green strategy for the synergistic conversion of the two carbon-containing resources to *** catalytic efficiency is always at the mercy of chemical inertness of CO_(2)and the competitive hydrogen evolution of ***,a modified g-C_(3)N_(4)/ZnAl-LDh Z-scheme heterojunction catalyst with dual reaction site was rationally designed and precisely *** Faraday efficiency of ethanol reached 68.67%with a corresponding formation rate of 227.3μmol g^(-1)h^(-1).As revealed by in-situ characterizations and density functional theory calculations,CO_(2)and hchO were absorbed at Zn site and N site,***,*CO generated from CO_(2)and hchO was converted to*ch_(3)O and*chO on the dual-active-site *** detailed reaction mechanism experiments indicated that C–C coupling only occurred between*CO and*ch_(3)O in electrocatalysis *** from the“*CO+*ch_(3)O”path,another“*CO+*chO”coupling path was also detected in photoelectrocatalytic *** selectivity of ethanol was significantly enhanced due to the synthesis of dual-site catalyst and the dual-path coupling path between CO_(2)and hchO simultaneously driven by light and electricity.

关键词： g-C_(3)N_(4)/ZnAl-LDh heterojunction Z-scheme C-C coupling Ethanol

Short-term Power Load Forecasting Enhanced by Signal Decomposition-based Autoformer

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Journal of Systems Science and Information 2025年

作者： yang yang Xiyuan hU Maochun WANG School of Economics and Management University of Chinese Academy of Sciences School of Computer Science Beijing University of Technology State Grid Qinghai Electric Power Company

high-precision short-term load forecasting is of paramount importance for the safety, stability, and economic efficiency of po wer sy stem op erations. Du e to th e in herent ch aracteristics of electricity load data, including significant v olatility, a nd n onlinearity, h igh-precision s hort-term electricity load forecasting is facing formidable challenges. To enhance the accuracy of short-term load forecasting,this paper proposes a short-term electric load forecasting model based on Autoformer. The model aims to fully leverage sequential information within electric load time series to improve prediction ***, t his p aper fi rst em ploys En semble Em pirical Mo de De composition(E EMD) to decompose the electric load time series into sub-components at different f requencies, e nhancing t he predictability of the sub-components. Each sub-component is then individually processed by an Autoformer-based forecasting model, which consists of an encoder and a decoder, to generate component-level predictions. Finally, the predictions for all components are aggregated to obtain the final f orecasted *** v alidation o f t he p roposed m ethod h as b een c onducted o n a p ublicly a vailable electric load dataset, and the experimental results indicate that the proposed approach exhibits competitive predictive performance in short-term electrical load forecasting tasks.

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AlO2: A novel two-dimensional material with a high negative Poisson's ratio for the adsorption of volatile organic compounds

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chinese chemical Letters 2025年第2期36卷 557-563页

作者： Xinghong Cai Qiang yang Yao Tong Lanyin Liu Wutang Zhang Sam Zhang Min Wang chongqing Key Laboratory for Advanced Materials and Technologies of Clean Energies School of Materials and EnergySouthwest University BatteroTech Co. Ltd. School of Astronautics Harbin Institute of Technology Zhengzhou Research Institute Harbin Institute of Technology

We propose and investigate a novel stable two-dimensional（2D） AlO2with anomalous stoichiometric ratios based on first-principles calculation. 2D AlO2has metallic properties. It possesses the rare in-plane and out-of-plane negative Poisson's ratio（NPR） phenomenon, originating from its special sawtooth-like structure. The absolute value of the NPR decreases as the number of layers increases. The adsorption of volatile organic compounds（VOCs） including ch2O, C2h3Cl and C6h6by AlO2exhibit small adsorption distance, large adsorption energy, large charge transfer and significant density of states（DOS） changes,indicating the presence of strong interactions. The desorption time of each gas molecule on the AlO2surface is also evaluated, and the results further suggest that the desorption of VOCs can be controlled by changing the temperature to achieve the recycling of AlO2. These interesting properties make 2D AlO2a promising material for electronic, mechanical and sensing applications for VOCs.

关键词： AlO2 First-principles calculations Negative Poisson's ratio Two-dimensional material VOCs

Barrierless reactions of C2 Criegee intermediates with h_(2)SO_(4)and their implication to oligomers and new particle formation

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Journal of Environmental Sciences 2025年第3期149卷 574-584页

作者： yang cheng chao Ding Tianlei Zhang Rui Wang Ruxue Mu Zeyao Li Rongrong Li Juan Shi chongqin Zhu Institute of Theoretical and Computational chemistry Shaanxi Key Laboratory of CatalysisSchool of Chemical&Environment ScienceShaanxi University of TechnologyHanzhongShaanxi 723001China College of chemistry Key Laboratory of Theoretical&Computational Photochemistry of Ministry of EducationBeijing Normal UniversityBeijing 100190China

The formation of oligomeric hydrogen peroxide triggered by Criegee intermediate maybe contributes significantly to the formation and growth of secondary organic aerosol(SOA).however,to date,the reactivity of C2 Criegee intermediates(ch_(3)chOO)in areas contaminated with acidic gas remains poorly ***,high-level quantum chemical calculations and Born-Oppenheimer molecular dynamics(BOMD)simulations are used to explore the reaction of ch_(3)chOO and h_(2)SO_(4)both in the gas phase and at the airwater *** the gas phase,the addition reaction of ch_(3)chOO with h_(2)SO_(4)to generate ch_(3)hC(OOh)OSO_(3)h(hPES)is near-barrierless,regardless of the presence of water *** simulations showthat the reaction at the air-water interface is even faster than that in the gas *** calculations reveal that the hPES has a tendency to aggregate with sulfuric acids,ammonias,and water molecules to form stable clusters,meanwhile the oligomerization reaction of ch_(3)chOO with hPES in the gas phase is both thermochemically and kinetically ***,it is noted that the interfacial hPES−ion can attract h_(2)SO_(4),Nh_(3),(COOh)_(2)and hNO_(3)for particle formation from the gas phase to the water ***,the results of this work not only elucidate the high atmospheric reactivity of C2 Criegee intermediates in polluted regions,but also deepen our understanding of the formation process of atmospheric SOA induced by Criegee intermediates.

关键词： Criegee intermediates h_(2)SO_(4) Atmospheric behavior Air-water interface chemical processes

酸性离子液体[N4h4（ch2）6]·4hSO4催化合成氯乙酸乙酯

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精细化工 2018年第4期35卷 608-611页

作者：贾鹏飞王娟常永芳张伟亮杨孟鑫张星辰石家庄学院化工学院河北石家庄050035 华北制药集团华胜有限公司河北石家庄052160

以六次甲基四胺和浓硫酸为原料,制备了酸性离子液体[N4h4（ch2）6]·4hSO4,并将其作为催化剂应用到氯乙酸乙酯的合成中,对酯化反应涉及的工艺参数进行了优化,采用1hNMR对产物进行了表征。结果表明：当n（氯乙酸）∶n（乙醇）=1∶1.8、... 详细信息

以六次甲基四胺和浓硫酸为原料,制备了酸性离子液体[N4h4（ch2）6]·4hSO4,并将其作为催化剂应用到氯乙酸乙酯的合成中,对酯化反应涉及的工艺参数进行了优化,采用1hNMR对产物进行了表征。结果表明：当n（氯乙酸）∶n（乙醇）=1∶1.8、离子液体质量为氯乙酸质量的30%、反应温度100℃、反应时间3.5 h时,氯乙酸乙酯收率最高,为93.27%。催化剂重复使用6次,氯乙酸乙酯收率为90.16%。

关键词：氯乙酸乙酯酸性离子液体酯化催化技术

Synthesis and Structure Description of a New Tetradecaborate [h_3N(ch_2)_2Nh_3]_2[B_(14)O_(20)(Oh)_6]

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chemical Research in chinese Universities 2010年第3期26卷 335-338页

作者： yang Miao ZhANG Zheng DING hong LI Ji-yang State Key Laboratory of Inorganic Synthesis and Preparative chemistry Jilin University Changchun 130012 P. R. China Dalian Institute of chemical Physics Chinese Academy of Sciences Dalian 116023 P R. China

A new tetradecaborate, [h3N（ch2）2Nh3]2[B14O20（Oh）6]（1）, was synthesized by a boric acid ＇flux＇ method, and characterized by X-ray powder diffraction, ICP, IR, TGA and DTA analyses. Single-crystal X-ray diffraction analysis showed that it crystallized in the monoclinic space group P1（No.2） with a=0.85092（10） nm, b=0.88678（11） nm, c=1.00724（13） nm, α=95.099（2）°, β=96.950（2）°, γ=116.845（2）°, V=0.66425（14） nm^3, Z=2, R1=0.0625[1〉2σ（I）], and WRE=0.1172（all data）. The molecule structure of compound 1 comprises the isolated polyanion clusters [B14O20（Oh）6]^4- and diprotonated ethylenediamine molecules. Each polyanion cluster contains an 8-ring enclosed by six B3O3 3-ring units. Adjacent clusters are further connected with each other through strong hydrogen-bonding interactions of N（O）-h…O to form a three dimensional（3D） supramolecular structure with 2D pseudo channels along the [010] and [001] directions. The diprotonated ethylenediamine molecules located in the channels interact with the host through extensive hydrogen-bonds. Compound 1 presents few example containing isolated polyborate anions synthesized by a boric acid ＇flux＇ method.

关键词： Polyborate anion Crystal structure Boric acid "flux" method

不同chF_3/ch_4流量比下沉积a-C∶F∶h薄膜键结构的红外分析

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物理学报 2001年第12期50卷 2492-2496页

作者：辛煜宁兆元甘肇强陆新华方亮程珊华苏州大学物理系苏州215006 苏州大学化学系苏州215006

通过微波电子回旋共振等离子体化学气相沉积方法使用ch4 chF3源气体制备a C∶F∶h薄膜 .红外结果表明 ,a C∶F∶h薄膜随着流量比R =[chF3] [chF3]+[ch4])的变化存在结构上的演变 ,R 6 4%时 ,薄膜表现为一个类聚四氟乙烯 (PTFE)的结构 ,... 详细信息

通过微波电子回旋共振等离子体化学气相沉积方法使用ch4 chF3源气体制备a C∶F∶h薄膜 .红外结果表明 ,a C∶F∶h薄膜随着流量比R =[chF3] [chF3]+[ch4])的变化存在结构上的演变 ,R 6 4%时 ,薄膜表现为一个类聚四氟乙烯 (PTFE)的结构 ,结构单体主要为 CF2 .同时这种结构上的变化影响着薄膜的光学带隙 .在类DLC特征结构区 ,Eg 随着流量比的增加而下降 ,而在类PTFE区 ,Eg 则随着流量比的上升而上升 .a C∶F∶h薄膜在R >92 %时透射率接近 10 0 %

关键词： a-C:F:h薄膜傅里叶变换红外光谱紫外可见光谱结构碳氟氢薄膜 chF3/ch4 流量比甲烷

Visualization and quantification of water movement in porous cement-based materials by real time thermal neutron radiography:Theoretical analysis and experimental study

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Science china(Technological Sciences) 2010年第5期53卷 1198-1207页

作者： ZhANG Peng1,WITTMANN F h1,2,ZhAO TieJun1,LEhMANN E3 & JIN ZuQuan1 1 Center for Durability & Sustainability Studies of Shandong Province,Qingdao Technological University,Qingdao 266033,china 2 Aedificat Institute Freiburg,Freiburg D-79100,Germany 3 Department of Spallation Neutron Source(ASQ),Paul Scherrer Institute,Villigen PSI ch-5232,Switzerland 1. Center for Durability & Sustainability Studies of Shandong Province Qingdao Technological University Qingdao 266033 China2. Aedificat Institute Freiburg Freiburg D-79100 Germany3. Department of Spallation Neutron Source (ASQ) Paul Scherrer Institute Villigen PSI CH-5232 Switzerland

Water movement in porous cement-based materials is of great importance when studying their deterioration processes and *** traditional methods based on mass changes,electricity or nuclear magnetic resonances are available for studying water transport in cement-based *** this research,an advanced technique *** neutron radiography was utilized to achieve visualization and quantification of time dependent water movement including water penetration and moisture vapor in porous cement-based materials through theoretical analysis and experimental *** thermal neutrons ex-perience a strong attenuation by hydrogen,neutron radiography exhibits high sensitivity to small amounts of water.A neutron transmission analysis for quantitative evaluation of raw radiographic measurements was developed and optimized based on point scattered functions(PScF).The determinations of the real time and space dependent water penetration into uncracked and cracked mortar samples,as well as the drying process have been presented in this *** is illustrated that thermal neutron radiography can be a useful research tool for visualization and quantification of water movement in porous building *** obtained results will help us to better understand deteriorating processes of cement-based materials and to find ways to improve their durability.

关键词： thermal neutron radiography visualization quantification water penetration moisture diffusion cement-based materials

Encapsulating perovskite quantum dots into 3D COF for visible light-driven CO2 reduction

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Science china chemistry 2025年

作者： Xinxin Wang Yucheng Jin Xiya yang Qingyu Luan Tianyu Wang Dongdong Qi Kang Wang Jianzhuang Jiang College of chemistry and Materials Science Anhui Normal University Beijing Advanced Innovation Center for Materials Genome Engineering Beijing Key Laboratory for Science and Application of Functional Molecular and Crystalline Materials Department of Chemistry and Chemical Engineering School of Chemistry and Biological EngineeringUniversity of Science and Technology Beijing

Lead halide perovskite quantum dots（LhP QDs） have been revealed to possess great potential in photocatalytic applications including CO2reduction, which however suffer from poor stability. herein, a high crystalline hydrazine-linked three-dimensional（3D） covalent organic framework, USTB-17, was fabricated from the reaction between 12-connected building block and 4-connected 3,5,7-tetrakis（4-aldophenyl）-adamantane. Post-modification with Ni2+affords the metallic framework USTB-17（Ni）followed by sequential deposition of the ch3Nh2PbI3（MAPbI3） perovskite QDs into its pores, generating the USTB-17（Ni）@MAPbI3composite. Powder X-ray diffraction analysis together with theoretical simulations and transmission electron microscopy discloses the crystalline nature of USTB-17, USTB-17（Ni）, and USTB-17（Ni）@MAPbI3with an unprecedented noninterpenetrated hpt topology. The close contact of QDs inside the COF pores with the Ni catalytic site locating at the pore surface of COF allows a rapid transfer of the photogenerated electrons in QDs to the Ni catalytic sites, enhancing the photocatalytic activity for CO2reduction. This endows USTB-17（Ni）@MAPbI3with efficient photocatalysis performance for photocatalytic CO2reduction with CO generation rate of 365 μmol g-1h-1and CO selectivity up to 96% under visible-light irradiation, 7 times higher than that of USTB-17（Ni）. After four cycles of reactions, the photocatalytic CO generation rate remains almost unchanged, demonstrating its excellent cycle stability.

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