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Calibration of Binding Energy Positions with C1s for XPS Results

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Journal of Wuhan University of Technology(Materials Science) 2020年第4期35卷 711-718页

作者： FANG De he feng XIE Junlin XUE Lihui State Key Laboratory of Silicate Materials for Architectures Wuhan University of TechnologyWuhan 430070China Center for Materials Research and Analysis Wuhan University of TechnologyWuhan 430070China School of Materials Science and Engineering Wuhan University of TechnologyWuhan 430070China

The adventitious carbon located at 284.8 eV was used to calibrate samples without the carbon *** the carbon is as a major part of the inorganic material,the adventitious carbon should be identified and used as the *** is no adventitious carbon on the surfaces of the polymer materials,so using C1s of the carbon in the polymer itself to calibrate the charging effect is ***,compared with gold and argon,a more practical and convenient method based on C1s is proposed to get the right positions for binding energy peaks.

关键词： XPS calibration charging effect binding energy C1s

Loading Nickel Atoms on GDY for Efficient CO_(2) Fixation and Conversion

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Chemical Research in Chinese Universities 2022年第1期38卷 92-98页

作者： ZheNG Zhiqiang he feng XUE Yurui LI Yuliang Science Center for Material Creation and Energy Conversion School of Chemistry and Chemical EngineeringInstitute of Frontier and Interdisciplinary ScienceShandong UniversityJinan 250100P.R.China Institute of Chemistry Chinese Academy of SciencesBeijing 100190P.R.China University of Chinese Academy of Sciences Beijing 100049P.R.China

Carbon dioxide(CO_(2))is an important and valuable C1 resource for the synthesis of numerous of value-added products. However, efficient fixation and conversion of CO_(2) into organic carbonates under mild conditions remain great challenges. herein, graphdiyne(GDY)-based nickel atomic catalysts(Ni0/GDYs) were synthesized through a facile in-situ reduction method. Experimental results showed that the obtained Ni0/GDY had outstanding catalytic performances for converting CO_(2) into cyclic carbonates with a high reaction conversion(99%) and reaction selectivity(ca. 100%) at 80℃ and under 1 atm(1 atm=101325 Pa). Specially, the activation energy (Ea) value for the Ni0/GDY is 37.05 kJ/mol, lower than those of reported catalysts. The reaction mechanism was next carefully analyzed by using density functional theory(DFT) calculations. Such an excellent catalytic property could be mainly attributed to the high dispersion of active sites on the Ni0/GDY, and the unique incomplete charge transfer properties of GDY-based zero-valent metallic catalysts.

关键词： Graphdiyne Atomic catalyst Atomic catalysis CO_(2)fixation CO_(2)conversion

Towards Interpretable Defense Against Adversarial Attacks via Causal Inference

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Machine Intelligence Research 2022年第3期19卷 209-226页

作者： Min Ren Yun-Long Wang Zhao-feng he University of Chinese Academy of Sciences Beijing 100190China Center for Research on Intelligent Perception and Computing National Laboratory of Pattern RecognitionInstitute of AutomationChinese Academy of SciencesBeijing 100190China Laboratory of Visual Computing and Intelligent System Beijing University of Posts and TelecommunicationsBeijing 100876China

Deep learning-based models are vulnerable to adversarial attacks. Defense against adversarial attacks is essential for sensitive and safety-critical scenarios. However, deep learning methods still lack effective and efficient defense mechanisms against adversarial attacks. Most of the existing methods are just stopgaps for specific adversarial samples. The main obstacle is that how adversarial samples fool the deep learning models is still unclear. The underlying working mechanism of adversarial samples has not been well explored, and it is the bottleneck of adversarial attack defense. In this paper, we build a causal model to interpret the generation and performance of adversarial samples. The self-attention/transformer is adopted as a powerful tool in this causal model. Compared to existing methods, causality enables us to analyze adversarial samples more naturally and intrinsically. Based on this causal model, the working mechanism of adversarial samples is revealed, and instructive analysis is provided. Then, we propose simple and effective adversarial sample detection and recognition methods according to the revealed working mechanism. The causal insights enable us to detect and recognize adversarial samples without any extra model or training. Extensive experiments are conducted to demonstrate the effectiveness of the proposed methods. Our methods outperform the state-of-the-art defense methods under various adversarial attacks.

关键词： Adversarial sample adversarial defense causal inference interpretable machine learning transformers

Numerical Simulation of Stress Field in Physical Tempering Process of Flat Soda Lime Silica Glass

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Journal of Wuhan University of Technology(Materials Science) 2023年第1期38卷 20-30页

作者：刘超英 he Dongsheng OU Yingchun he feng HAO Lizi XU Shaokun MA Juanrong China Building Materials Academy Beijing 100024China School of Materials Science and Engineering Wuhan University of TechnologyWuhan 430070China China helicopter Research and Development Institute Jingdezhen 333001China

Based on the analysis of different theory for glass tempering process,the“structural theory”with stress relaxation and structural relaxation effects was selected to investigate the tempering of flat glass *** geometrical model with small size and non-homogeneous mesh were considered to build the finite element models according to the characteristics of stress *** tempering process of flat glass with12 mm thickness was calculated with the verified finite element *** transient and permanent stress of the central area,edge and corner end of the flat glass are obtained and *** the calculation results of basic case,the transient tensile stress at the upper surface of the central area,the center point of edge,the edge of edge,the edge of corner were 14.30,18.94,40.76 and 34.75 MPa,*** transient tensile stress at these points were dangerous to promote the glass to break during the *** addition,the point at the diagonal line of symmetry plane in the thickness direction,which is 14 mm from corner,has the maximum permanent tensile stress about 70.01 MPa in the flat glass after ***,it is indicated that the corner is the weakest region in the tempered glass.

关键词： nite element tempering stress relaxation structural relaxation compressive stress tensile stress

Metal-free synthesis of amphiphilic functional polycarbonates

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Chinese Chemical Letters 2007年第12期18卷 1528-1530页

作者： Ying Xia Wang Jun feng feng he Ren Xi Zhuo Key Laboratory of Eco-textiles （Jiangnan University） Ministry of Education Wuxi 214122 China Department of Chemistry Key Laboratory of Biomedical Polymers of Ministry of Education Wuhan University Wuhan 430072 China

Amphiphilic block copolymers of poly（5-benzyloxy trimethylene carbonate）（PBTMC） and poly（ethylene glycol）（PEG） were synthesized through enzymatic polymerization using immobilized porcine pancreas lipase （IPPL）. The obtained copolymers with different compositions were characterized by GPC and IH NMR. The copolymer composition was in agreement with the feed ratio. The molecular weight of the copolymers showed an increasing trend with the decrease of PEG contents. MiceUes of the copolymers were formed by dialysis procedure, and characterized by transmission electron microscopy （TEM）.

关键词： Amphiphilic block copolymer Enzymatic polymerization Polycarbonate

Enzymatic Synthesis and Characterization of Novel Amphiphilic Triblock Copolymer Poly(p-dioxanone-co-5-benzyloxytrimethylene carbonate)-block-poly(ethylene glycol)

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Chinese Chemical Letters 2006年第8期17卷 1113-1116页

作者： Hua Li JIA feng he Jun feng Ren Xi ZHUO Key Laboratory of Biomedical Polymers of Ministry of Education Department of Chemistry Wuhan University Wuhan 430072

Novel amphiphilic triblock copolymer poly（p-dioxanone-co-5-benzyloxytrimethylene carbonate）-block-poly（ethylene glycol）-block-poly（p-dioxanone-co-5-benzyloxytrimethylene carbonate）（p（PDO-co-BTMC）-b-PEG-b-p（PDO-co-BTMC）） was successfully synthesized using immobilized porcine pancreas lipase on porous silica particles （IPPL） as the catalyst for the fLrSt time. 1H NMR, 13C NMR and GPC analysis were used to confirm the structures of resulting copolymers. The molecular weight （Mn） of the copolymer with feed ratio of 69：20：11 （BTMC： PDO： PEG ） was 31300 g/mol and the polydispersity was 1.85, while the Mn decreased to 25000 g/mol and polydispersity of 1.93 with the feed ratio of 50：40：10.

关键词： Amphiphilic copolymer poly(ethylene glycol) 5-benzyloxytrimethylene carbonate,p-dioxanone enzymatic polymerization.

Bioinformatics analysis of the structure and linear B-cell epitopes of aquaporin-3 from Schistosoma japonicum

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Asian Pacific Journal of Tropical Medicine 2012年第2期5卷 107-109页

作者： Jie Song Qing-feng he Department of Parasitology Guangdong Medical College

Objective:To analyze the structure of aquaporins-3(AQP-3) from Schistosoma japonicum(SJAQP-3) using bioinformalical methods,and to provid of references for vaccine targets ***:Protparam,BepiPred,TMHMM Server,MLRC,Geno3d,DNA star software packages were used to predict the physical and chemical properties,hydrophilicity plot, flexibility regions,antigenic index,surface probability plot,secondary structure,and tertiary structure of amino acid sequence of ***:SJAQP-3 had six transmembrane regions and two half-spanning helices that form a central *** half-spanning helices fold into the centre of the *** of the half-spanning helix had a conserved motif of NPA common to all *** linear B-Cell epitopes were most likely at the N-terminal amino acid residues of Saa-7aa,59aa- 62aa,225aa-230aa,282aa -288aa,294aa -29Saa and 305aa -307aa area.59aa- 62aa,22Saa-230aa located outside the membrane,the others located inside the ***:SJAQP-3 is a integral membrane protein in Schistosoma japonicum *** are six potential epitopes in SJ *** might be a potential molecular target for the development of vaccines.

关键词： Schistosoma japonicum Aquaporins-3 Bioinformatics Linear B-cell epitopes Vaccine target

Corrosion Behavior of Fe-based Bulk Metallic Glass and In-situ Dendrite-reinforced Metallic Glass Matrix Composites in Acid Solution

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Journal of Iron and Steel Research International 2016年第11期23卷 1200-1205页

作者： Fan YANG Sheng-feng GUO Ai-dong LAN Hui-jun YANG he-feng ZHOU Laboratory of Applied Physics and Mechanics of Advanced Materials College of Materials Science and EngineeringTaiyuan University of Technology School of Materials Science and Engineering Southwest University Institute of Applied Mechanics and Biomedical Engineering Taiyuan University of Technology

The corrosion behavior study was conducted on a novel Fe77 Mo5P9C7.5 B1.5 in-situ metallic glass matrix composite （MGMC）. This composite sample was developed by introduction of bcc a-Fe dendrites as reinforcing phase. The corrosion behavior of this composite was compared to its monolithic counterpart and other Fe-based alloys such as 304L and 2304L stainless steels. The corrosion resistance of MGMCs in H2SO4 solution shows inferior to that of other Fe-based alloys. Experiments suggest that Fe-BMGs samples possess better corrosion resistance property than that of Fe-MGMCs. The possible underlying reasons can be the inhomogeneity induced by the precipitation of a-Fe dendrites in the MGMCs.

关键词： bulk metallic glass metallic glass matrix composite electrochemical test corrosion property

How can we improve the stability of organic solar cells from materials design to device engineering?

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Aggregate 2024年第5期5卷 109-134页

作者： Mingpeng Li Leilei Tian feng he Shenzhen Grubbs Institute and Department of Chemistry Southern University of Science and TechnologyShenzhenGuangdongChina Department of Materials Science and Engineering Southern University of Science and TechnologyShenzhenGuangdongChina Guangdong Provincial Key Laboratory of Catalytic Chemistry Southern University of Science and TechnologyShenzhenGuangdongChina

Among a promising photovoltaic technology for solar energy conversion,organic solar cells(OSCs)have been paid much attention,of which the power conversion efﬁciencies(PCEs)have rapidly surpassed over 20%,approaching the threshold for potential ***,the device stability of OSCs including storage stability,photostability and thermal stability,remains to be an enormous challenge when faced with practical *** major causes of device instability are rooted in the poor inherent properties of light-harvesting materials,metastable mor-phology,interfacial reactions and highly sensitive to external *** get rid of theseﬂaws,a comprehensive review is provided about recent strategies and meth-ods for improving the device stability from active layers,interfacial layers,device engineering and encapsulation techniques for high-performance OSC *** the end,prospectives for the next stage development of high-performance devices with satisfactory long-term stability are afforded for the solar community.

关键词： device engineering materials design organic solar cells stability