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How interfacial electron-donating defects influence the structure and charge of gold nanoparticles on TiO_(2)support

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Nano Research 2024年第7期17卷 5965-5974页

作者： Guang-jie Xia Yu Fu wei Cao jun Li Yang-Gang Wang Department of Chemistry and Guangdong Provincial Key Laboratory of Catalysis Southern University of Science and TechnologyShenzhen 518055China School of Physical Sciences Great Bay UniversityDongguan 523000China Department of Chemistry Tsinghua UniversityBeijing 100084China

The reduction degree of TiO_(2)support is critical to the performances of metal *** many previous theoretical calculations,only the bridge oxygen vacancy(Ov)was considered as the electron-donating defect on reduced rutile TiO_(2)(r-TiO_(2−x))***,titanium adatoms(Tiad.),oxidized titanium islands(***),and acid hydroxyls(ObrH)also exist at the metal/support *** conducting density functional theory(DFT)calculations and ab initio molecular dynamics(AIMD)simulations,we compared r-TiO_(2−x)surfaces with Ov,Tiad.,***,and ObrH sites loaded with Au nanoparticles(NPs).The results showed the Au NPs were oxygen-phobic but titanium-philic,resulting in wetting of Ov and *** short contact with *** and *** Bader charges of Au NPs(QM)showed a good linear relationship with the ideal number of donating electrons(Ne)from the defective sites(QM=−KeNe+QM,S),demonstrating the intrinsic electron allocation at the *** Ov,Tiad.,and *** exhibited similar slopes(Ke),relatively steeper than that of *** means in the scope of Au NP charge state,the *** *** have a close electron-donating ability with Ov,but the ObrH donates relatively fewer *** linear relationship can be extended approximately to other *** higher the metal work function,the steeper the Ke for easier electron donation from defective *** stronger the metal oxygen affinity,the more positive the intercept(QM,S).That explains the easy generation of metallic or negative Pt and Au NPs on r-TiO_(2−x),but hard for Cu and Zn in *** provides theoretical guidance for regulating the charge of metal NPs over TiO_(2−x)supports.

关键词： metal-support interaction titanium oxide oxygen vacancy surface hydroxyl titanium adatom

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Structural engineering of high-entropy alloys for advanced electrocatalytic reactions

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Tungsten 2025年第1期 1-31页

作者： Qiao Xie Ying-jie Yu Hai-jun Zhang Ya-Ping Deng Wen Lei The State Key Laboratory of Refractories and Metallurgy Wuhan University of Science and Technology Department of Chemical Engineering Waterloo Institute for Sustainable Energy Waterloo Institute for Nanotechnology University of Waterloo

High-entropy alloys(HEAs) have emerged as promising candidates to replace traditional precious metal catalysts,owing to their unique chemical and physical *** review commences by revisiting the fundamental concepts of HEAs,including their synthesis methods and structural control strategies in *** underscores the critical role of meticulously manipulating both macroscopic and microscopic structures of the HEAs to optimize their catalytic performance.A deep understanding of the structure-activity relationship in HEAs across various configurations is pivotal in developing more effective *** review methodically encapsulates the research progress of structural control strategies for HEAs in achieving efficient energy conversion,with the aim of gaining a better understanding of the relationship between structure and *** review concludes by summarizing the current achievements and challenges,and suggestions for potential future directions of HEAs in the fields of energy conversion and environmental purification.

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Triangular Halogen Bond and Hydrogen Bond Supramolecular Complex Consisting of Carbon Tetrabromide, Halide, and Solvent Molecule： A Theoretical and Spectroscopic Study

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Chinese Journal of Chemical Physics 2014年第3期27卷 265-273页

作者： Yu-jie Wu Xiao-ran Zhao Hai-yue Gao wei-jun Jin College of Chemistry Beijing Normal University Beijing 100875 China

The theoretical calculation and spectroscopic experiments indicate a kind of triangular three bonding supramolecular complexes CBr4…X^-…-H-C, which consist of carbon tetrabromide, halide, and protic solvent molecule （referring to dichloromethane, chloroform and acetonitrile）, can be formed in solution. The strength of halogen and hydrogen bonds in the triangular complexes using halide as common acceptor obeys the order of iodide〉bromide〉chloride. The halogen and hydrogen bonds work weak-cooperatively. Charge transfer bands of halogen bonding complexes between CBra and halide are observed in UV-Vis absorption spectroscopy in three solvents, and then the stoichiometry of 1：1, formation constants K and molar extinction coefficients ε of the halogen bonding complexes are obtained by Benesi-Hildebrand method. The K and ε show a dependence on the solvent dielectric constant and, on the whole, obey an order of iodide〉bromide〉chloride in the same solvents. Furthermore, the C-H vibrational frequencies of solvent molecules vary obviously with the addition of halide, which indicates the C-H…X- interaction. The experimental data indicate that the halogen bond and hydrogen bond coexist by sharing a common halide acceptor as predicted by calculation.

关键词： Halogen bond Hydrogen bond Halide Carbon tetrabromide Charge transfer

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Array based HV/VH tree: an effective data structure for layout representation

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Journal of Zhejiang University-Science C(Computers and Electronics) 2012年第3期13卷 232-237页

作者： jie REN wei-wei PAN Yong-jun ZHENG Zheng SHI Xiao-lang YAN Institute of VLSI Design Zhejiang UniversityHangzhou 310027China

We present a new data structure for the representation of an integrated circuit layout. It is a modified HV/VH tree using arrays as the primary container in bisector lists and leaf nodes. By grouping and sorting objects within these arrays together with a customized binary search algorithm, our new data structure provides excellent performance in both memory usage and region query speed. Experimental results show that in comparison with the original HV/VH tree, which has been regarded as the best layout data structure to date, the new data structure uses much less memory and can become 30% faster on region query.

关键词： Very large scale integration (VLSI) Layout representation HV/VH trees Region query

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Generation of sulfonylureas under photoredox catalysis and their biological evaluations

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Chinese Chemical Letters 2022年第11期33卷 4860-4864页

作者： Xuefeng Wang jun Zhang Qi Chen wei Zhou jie Wu Taizhou Central Hospital(Taizhou University Hospital)&School of Pharmaceutical and Materials Engineering Taizhou UniversityTaizhou 318000China Department of Chemistry Fudan UniversityShanghai 200438China State Key Laboratory of Organometallic Chemistry Shanghai Institute of Organic ChemistryChinese Academy of SciencesShanghai 200032China School of Chemistry and Chemical Engineering Henan Normal UniversityXinxiang 453007China

Traditional synthesis of sulfonylureas largely depends on nucleophilic addition of arylsulfonamides to presynthesized *** we report a new access to alkylsulfonylureas with good yields and broad substrate *** the insertion of commercialized chlorosulfonyl isocyanate under photoredox catalysis,alkylsulfonylureas are synthesized in one-pot from the corresponding anilines and silyl enolates.A reaction mechanism is proposed showing the transformation undergoes a radical process,and the practicality of this methodology is proven via application to bioactive ***,the anti-cancer and anti-virus screening of these compounds is evaluated.

关键词： Sulfonylurea Chlorosulfonyl isocyanate Photocatalysis

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The anti-Temperature-vibration properties of viscoelastic anticorrosive tape

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Petroleum Science 2022年第5期19卷 2413-2419页

作者： Hai-Liang Nie wei-Feng Ma Xiao-wei Hu wei Dang jun-jie Ren Ke Wang jun Cao Tian Yao Xiao-Bin Liang Institute of Safety Assessment and Integrity State Key Laboratory for Performance and Structure Safety of Petroleum Tubular Goods and Equipment MaterialsCNPC Tubular Goods Research InstituteXi'an710077China No.2 Oil Extraction Plant Changqing Oilfield BranchPetroChinaGansu745100China

Viscoelastic anticorrosive tape is extensively used for repairing anticorrosive layers on compressor outlet pipelines in the oil and gas ***,there is no relevant research on the coupling effect of temperature and vibration on the performance of viscoelastic anticorrosive *** this paper,acceleration tests of temperature and vibration coupling conditions were conducted to investigate the performance of viscoelastic anticorrosive *** temperature and vibration treatment,the specimens showed wide variance in thickness,and the adhesion and chemical soaking resistance of the tape was ***,the viscoelastic anticorrosive tape still showed high *** to theoretical calculations,the tested viscoelastic body can repair pipes with a maximum diameter of 903 ***,this viscoelastic anticorrosive tape is suitable for the compressor outlets of buried pipelines with diameters smaller than 903 *** research in this paper provides a method and basis for the selection of repairing materials for the anticorrosion coatings of compressor outlet pipelines.

关键词： Station Compressor outlet Anticorrosive coating Viscoelastic anticorrosive tape

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Perceptions of Generic Drugs in the Pharmacists of Public Hospitals:A Cross-sectional Survey in Hubei Province of China

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Current Medical Science 2021年第5期41卷 987-995页

作者： wei-jie LI Mei-jun XIA Shi-wei GONG Yu-feng DING Department of Pharmacy Tongji HospitalTongji Medical CollegeHuazhong University of Science and TechnologyWuhan 430030China Department of Pharmacy Business and Administration School of PharmacyTongji Medical CollegeHuazhong University of Science and TechnologyWuhan 430030China

Objective:Generic drugs provide an opportunity for savings in drug expenditure since they are available at a lower cost and do not affect patients’health.A better understanding of pharmacists’knowledge,attitudes,and perception can promote the quality use of generic *** objective of this study was to investigate the knowledge,attitudes,and perception of pharmacists from tertiary hospitals in China regarding generic ***:A cross-sectional survey using a postal questionnaire was conducted,which was sent to 200 hospital pharmacists randomly selected from tertiary hospitals in Hubei Province.A total of 125 questionnaires out of 200 were *** the respondents,80 were female and 45 were ***:The majority of respondents(87.2%)could clearly distinguish between original and generic *** agreed that generic drugs were less effective(52.8%)and produced more side effects(52%).Forty-nine respondents thought that generic drug products were not adequately *** 78% and 60% of the pharmacists indicated that generic substitution was not feasible for drugs with narrow therapeutic windows and drugs for critical diseases,*** of them supported the recommendation of generic drugs based on professional ***:Our study showed that a considerable portion of Chinese hospital pharmacists hold negative perceptions of generic *** to improve pharmacists'knowledge of generic drugs are needed.

关键词： generic drugs substitution pharmacist perceptions

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Variation in photosynthetic photon flux density within a tropical seasonal rain forest of Xishuangbanna, south-western China

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Journal of Environmental Sciences 2005年第6期17卷 966-969页

作者： DOU jun-xia ZHANG Yi-ping FENG Zong-wei LIU Wen-jie Xishuangbanna Tropical Botanical Garden Chinese Academy of Sciences Kunming 650223 China Research Center for Eco-Environmental Sciences Chinese Academy of Sciences Beijing 100085 China The Graduate School of the Chinese Academy of Sciences Beijing 100039 China

The effects of canopy development, solar angle, and weather conditions on temporal variation in photosynthetic photon flux density（PPFD） at three heights within a tropical rain forest canopy in Xishuangbanna, China, were examined. PPFD was measured every second and stored as 10-min averages from 1 December 2002 to 30 November 2003. PPFD variability was examined at three different temporal scales. Specific days in March, September, and December with clear and overcast sky conditions were selected to separate the effects of leaf area index（LAI） and solar angle on diurnal variability. On both clear and overcast days, mean daily average PPFD was significantly different between March and September at all heights, except 10 m on clear days, suggesting that LAI directly influences PPFD. In contrast, the differences in daily average PPFD among three heights between September and December were likely due to variation in solar angle. In addition, daily average PPFD at all locations were significantly lower under overcast than clear sky conditions in March, September and December. Over the year-long study, the mean daily total PPFD at 2! m, 10 m and 4 m was 2.8, 2.7 and 0.7 mol/（m^2·d）, which accounted for 9.7%, 9.4% and 2.4% of the daily PPFD above the canopy, respectively. Significant differences in mean daily total PPFD occurred at the same heights among different seasons, and diurnal, day-to-day and seasonal PPFD varied at different heights within the canopy. The possible effects of light variability on physiological and morphological responses of plants are discussed.

关键词： photosynthetic photon flux density temporal light variability tropical seasonal rain forest canopy Xishuangbanna

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Using bidirectional links to improve peer-to-peer lookup performance

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Journal of Zhejiang University-Science A(Applied Physics & Engineering) 2006年第6期7卷 945-951页

作者： JIANG jun-jie TANG Fei-long PAN Feng WANG wei-nong Department of Computer Science and Engineering Shanghai Jiao Tong University Shanghai 200030 China Network Center Shanghai Jiao Tong University Shanghai 200030 China

Efficient lookup is essential for peer-to-peer networks and Chord is a representative peer-to-peer lookup scheme based on distributed hash table (DHT). In peer-to-peer networks, each node maintains several unidirectional application layer links to other nodes and forwards lookup messages through such links. This paper proposes use of bidirectional links to improve the lookup performance in Chord. Every original unidirectional link is replaced by a bidirectional link, and accordingly every node becomes an anti-finger of all its finger nodes. Both theoretical analyses and experimental results indicate that these anti-fingers can help improve the lookup performance greatly with very low overhead.

关键词： Distributed hash table (DHT) Peer-to-peer Lookup performance

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Sampled-Data Semi-Global Robust Output Regulation for a Class of Nonlinear Systems

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Journal of Systems Science & Complexity 2021年第5期34卷 1743-1765页

作者： LIU wei HUANG jie School of Automation Science and Engineering South China University of TechnologyGuangzhou 510641China Shenzhen Research Institute The Chinese University of Hong KongShenzhen 518057China Department of Mechanical and Automation Engineering The Chinese University of Hong KongShatinN.T.Hong Kong 999077China

This paper investigates the semi-global robust output regulation problem for a class of uncertain nonlinear systems via a sampled-data output feedback control *** makes the results interesting is that the nonlinearities of the proposed system do not have to satisfy linear growth condition and the uncertain parameters of our system are allowed to belong to some arbitrarily large prescribed compact *** cases are *** first case is that the exogenous signal is *** second case is that the exogenous signal is time-varying and *** the first case,the authors solve the problem exactly in the sense that the tracking error approaches zero *** the second case,the authors solve the problem practically in the sense that the steady-state tracking error can be made arbitrarily ***,an example is given to illustrate the effectiveness of our approach.

关键词： Internal model nonlinear systems robust output regulation sampled-data control

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