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醋酸乙酯在Pd/Au表面的形成机理研究

石油化工 2024年第2期53卷 175-181页

作者：邱鹏远孙浩洋杨运信刘军晓张丽斌中石化(上海)石油化工研究院有限公司绿色化工与工业催化国家重点实验室上海201208

采用密度泛函理论研究了醋酸乙烯合成过程中关键副产物醋酸乙酯在Pd/Au(100)及Pd/Au(111)表面的形成机理,从微观层面揭示Pd/Au(100)及Pd/Au(111)表面不同Pd原子数、Pd/Au原子构型对醋酸乙酯形成的影响。研究结果表明,Pd/Au(100)和Pd/Au(... 详细信息

采用密度泛函理论研究了醋酸乙烯合成过程中关键副产物醋酸乙酯在Pd/Au(100)及Pd/Au(111)表面的形成机理,从微观层面揭示Pd/Au(100)及Pd/Au(111)表面不同Pd原子数、Pd/Au原子构型对醋酸乙酯形成的影响。研究结果表明,Pd/Au(100)和Pd/Au(111)表面邻位Pd活性位构型最有利于醋酸乙酯的生成,而随着Pd/Au表面Pd原子数的增加,生成醋酸乙酯的反应活性逐渐降低,团簇Pd活性位(Pd原子数大于等于4)可以有效抑制醋酸乙酯的生成。该机理为开发高选择性Pd/Au催化剂、抑制醋酸乙酯副产物生成提供了理论依据。

关键词：醋酸乙烯 Pd/Au催化剂醋酸乙酯密度泛函理论

Template synthesis of 3-D bi-modal ordered porous silica

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Chinese Science Bulletin 2001年第21期46卷 1785-1790页

作者： yang Zhenzhong QI Kai RONG Jianhua WANG Lijun LIU Zhengping yang yunxin State Key Laboratory of Polymer Physics and Chemistry Center for Molecular ScienceInstitute of ChemistryChinese Academy of SciencesBeijing 100080China Department of Chemistry Beijing Normal UniversityBeijing 100875China Shanghai Petrochemical Company Limited Shanghai 200540China

A dual template synthesis combined with a modified bulk sol-gel process was used to prepare the three dimensional bimodal ordered porous silica, in which the macropore wall is mesoporous and both the pores are interconnected. The macropores were replicated from the template of the dried polystyrene colloidal crystal after being removed by calcination at high temperature, whislt the mesopores were achieved by burning off the surfactant in the gel. The ordered morphologies and interconnection of both the macropores and the mesopores were evidenced by the characterizations with SEM and TEM attached with electron diffraction. Nitrogen adsorption results also confirmed the interconnectivity, sizes and their distribution of the two sortsof pores. The effect of surfactant concentration and calcination conditions on mesopore size and its distribution was also investigated.

关键词： template synthesis bimodal porous silica three dimensional order bulk sol-gel process.

Detection of SARS-CoV-2 based on artificial intelligence-assisted smartphone:A review

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Chinese Chemical Letters 2024年第7期35卷 25-34页

作者： yunxin Li Jinghui Zhang Jisen Chen Feng Zhu Zhiqiang Liu Peng Bao Wei Shen Sheng Tang School of Environmental and Chemical Engineering Jiangsu University of Science and TechnologyZhenjiang 212003China Programme in Emerging Infectious Diseases Duke-NUS Medical SchoolSingapore 169857Singapore

In recent years,the application of smartphone in various fields has received great attention,and it has become a promising tool in virus detection,data processing and data *** the rapid spread of COVID-19 around the world,many traditional detection methods have been combined with smartphone to assist in the analysis and detection of the novel coronavirus(SARS-CoV-2),including electrochemistry,fluorescence and *** the gradual development of artificial intelligence(AI),the combination of AI and smartphone to analyze SARS-CoV-2 was also the focus of *** on the summary of the traditional methods combined with smartphone to detect SARS-CoV-2 virus,in addition to AI-based data processing,AI algorithms are also employed for SARS-CoV-2 detection *** review discussed both strategies and focused on the application of the *** combination of AI algorithm and smartphone to detect SARS-CoV-2 has high accuracy,which is more conducive to meeting the needs of portable *** addition,the classification of SARS-CoV-2 virus samples in biological fluids such as blood and saliva was also ***,this paper briefly discussed the limitations of using smartphone analysis to detect SARS-CoV-2,as well as the prospect and future development of virus *** conclusion,the detection methods based on smartphone and AI algorithms show great potential in the detection of SARS-CoV-2 and can be a valuable complement to traditional analysis methods.

关键词： COVID-19 SARS-CoV-2 virus Detection method Smartphone analysis Artificial intelligence

Recent advances in two-dimensional photovoltaic devices

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Journal of Semiconductors 2024年第5期45卷 26-40页

作者： Haoyun Wang Xingyu Song Zexin Li Dongyan Li Xiang Xu yunxin Chen Pengbin Liu Xing Zhou Tianyou Zhai State Key Laboratory of Materials Processing and Die&Mould Technology School of Materials Science and EngineeringHuazhong University of Science and TechnologyWuhan 430074China Research Institute of Huazhong University of Science and Technology in Shenzhen Shenzhen 518057China Optics Valley Laboratory Wuhan 430074China

Two-dimensional(2D)materials have attracted tremendous interest in view of the outstanding optoelectronic properties,showing new possibilities for future photovoltaic devices toward high performance,high specific power and *** recent years,substantial works have focused on 2D photovoltaic devices,and great progress has been ***,we present the review of recent advances in 2D photovoltaic devices,focusing on 2D-material-based Schottky junctions,homojunctions,2D−2D heterojunctions,2D−3D heterojunctions,and bulk photovoltaic effect ***,advanced strategies for improving the photovoltaic performances are demonstrated in ***,conclusions and outlooks are delivered,providing a guideline for the further development of 2D photovoltaic devices.

关键词： two-dimensional materials photovoltaic devices photodetectors solar cells heterostructures

Chemotactic nanomotor for multimodal combined therapy of glioblastoma

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Science China Chemistry 2024年第4期67卷 1277-1288页

作者： Ting Li Lin Chen yunxin Xue Xiangyu Xiao Wenjun Dai Kaiyuan Tan Tiantian Chen Yingfang Tao Chun Mao Jian Shen Mimi Wan National and Local Joint Engineering Research Center of Biomedical Functional Materials School of Chemistry and Materials ScienceNanjing Normal UniversityNanjing 210023China

Glioblastoma(GBM) is the most aggressive malignant brain tumor. Due to the infiltration and heterogeneity of GBM, the obstruction of the blood-brain barrier(BBB) and the unique immunosuppressive mechanism, it is hard to achieve significant effects of GBM treatment. Here, a kind of chemotactic nanomotor that loaded with glucose oxidase(GOx) and carboxylated cisplatin(Pt(IV)) prodrug on the L-arginine-derived polymer is proposed. The nanomotors are driven by catalysis of glucose decomposition and the positive chemotaxis towards the GBM microenvironment where inducible nitric oxide synthase and reactive oxygen species are highly expressed. This facilitates the BBB crossing and GBM targeting of the nanomotors. In addition, the released nitric oxide(NO) during propulsion as well as the loaded GOx and Pt(IV) can exert combined NO/starvation/chemotherapy. Meanwhile, it is able to induce and enhance the immune response through multiple pathways, thus better coping with the complexities of GBM treatment.

关键词： chemotaxis combined therapy glioblastoma nanomotors

Delicate chemical structure regulation of nonfullerene acceptor for efficient and large thickness organic solar cells

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Science China Chemistry 2024年第5期67卷 1596-1604页

作者： Zhe Zhang Wanying Feng yunxin Zhang Shaohui Yuan Yuyang Bai Peiran Wang Zhaoyang Yao Chenxi Li Tainan Duan Xiangjian Wan Bin Kan Yongsheng Chen State Key Laboratory and Institute of Elemento-Organic Chemistry Frontiers Science Center for New Organic MatterThe Centre of Nanoscale Science and Technology and Key Laboratory of Functional Polymer MaterialsRenewable Energy Conversion and Storage Center(RECAST)College of ChemistryNankai UniversityTianjin 300071China School of Materials Science and Engineering National Institute for Advanced MaterialsNankai UniversityTianjin 300350China Chongqing Institute of Green and Intelligent Technology Chongqing SchoolUniversity of Chinese Academy of Sciences(UCAS Chongqing)Chinese Academy of SciencesChongqing 400722China

Inspired by the success of CH-series acceptors, a small-molecular acceptor, CH-Tz was reported by adopting a new conjugationextended electron-deficient unit([1,2,5]thiadiazolo[3,4-b]pyrazine) on the central core. Owing to the enhanced inter-/intramolecular interactions, CH-Tz exhibited near-infrared absorption and an effective three-dimensional molecular packing network in its single crystal. When blended with polymer donor PM6, the binary device achieved a high power conversion efficiency(PCE) of 18.54%, with a notable short-circuit current density(J_(sc)) of 27.54 m A cm-2and an excellent fill factor(FF) over 80%,which can be partly ascribed to the balanced charge transport properties in the blend film. After employing D18-Cl as the third component, an enhanced PCE of 18.85% was achieved due to a more obvious fiber network. Impressively, the CH-Tz-based OSC devices show excellent thermal stability and thickness insensitivity. Record-breaking Jscof 28.92 m A cm-2was reached for PM6:D18-Cl:CH-Tz ternary device with a thickness of 560 nm. Besides, CH-Tz shows potential in fabricating multicomponent high-performance organic solar cells, where over 19% efficiency could be realized in the quaternary device. Our work advances the strong influence of electron-deficient central units on molecular photovoltaic properties and guides the design of acceptors for stable and large-thickness organic solar cells.

关键词： organic solar cells non-fullerene acceptor central unit large thickness molecular packing