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Switching the O-O Bond Formation Pathways of Ru-pda Water Oxidation Catalyst by Third Coordination Sphere Engineering

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Research 2021年第1期2021卷 1343-1353页

作者： Yingzheng Li Shaoqi Zhan Lianpeng Tong Wenlong Li Yilong zhao Ziqi zhao Chang Liu mårten S.G.Ahlquist Fusheng Li Licheng Sun State Key Laboratory of Fine Chemicals Institute of Artificial PhotosynthesisDUT-KTH Joint Education and Research Centre on Molecular DevicesDalian University of TechnologyDalian 116024China Department of Theoretical Chemistry and Biology School of Engineering Sciences in Chemistry Biotechnology and HealthKTH Royal Institute of Technology10691 StockholmSweden Department of Chemistry University of CaliforniaRiversideCalifornia 92521USA School of Chemistry and Chemical Engineering/Institute of Clean Energy and materials Guangzhou UniversityNo.230 Wai Huan Xi RoadHigher Education Mega CenterGuangzhou 510006China Department of Chemistry School of Engineering Sciences in ChemistryBiotechnology and HealthKTH Royal Institute of Technology10044 StockholmSweden Center of Artificial Photosynthesis for Solar Fuels School of ScienceWestlake University310024 HangzhouChina

Water oxidation is a vital anodic reaction for renewable fuel generation via electrochemical-and photoelectrochemical-driven water splitting or CO_(2)*** complexes,such as Ru-bda family,have been shown as highly efficient wateroxidation catalysts(WOCs),particularly when they undergo a bimolecular O-O bond formation *** this study,a novel Ru(pda)-type(pda^(2–)=1,10-phenanthroline-2,9-dicarboxylate)molecular WOC with 4-vinylpyridine axial ligands was immobilized on the glassy carbon electrode surface by electrochemical *** kinetic studies revealed that this homocoupling polymer catalyzes water oxidation through a bimolecular radical coupling pathway,where interaction between two Ru(pda)–oxyl moieties(I2m)forms the O-O *** calculated barrier of the I2m pathway by densityfunctional theory(DFT)is significantly lower than the barrier of a water nucleophilic attack(WNA)*** using this polymerization strategy,the Ru centers are brought closer in the distance,and the O-O bond formation pathway by the Ru(pda)catalyst is switched from WNA in a homogeneous molecular catalytic system to I2m in the polymerized film,providing some deep insights into the importance of third coordination sphere engineering of the water oxidation catalyst.

关键词： coupling closer Oxidation

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Investigation of Linear Tetra-Atomic Negative Ion by Photodetached-Electron Spectra

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Chinese Physics Letters 2011年第8期28卷 87-90页

作者： A.Rahman Iftikhar Ahmad A.Afaq m.Haneef H.J.zhao Department of Physics Hazara UniversityMansehraPakistan Department of Physics University of MalakandChakdaraPakistan Centre of Excellence in Solid State Physics University of the PunjabQuid-e-Azam CampusLahore-54590Pakistan School of Physics and Information Science Shanxi Normal UniversityLinfen 041004

Photodetachment spectra from a linear tetra-atomic negative ion is investigated by treating the detached-electron wave function quantum mechanically.A plane polarized laser light,perpendicular to the axis of the ion,is used to detach the electron from the *** expressions for the electron flux and total photodetachment cross section are *** electron flux on screen shows strong-energy-dependent oscillations with different *** total cross section of the tetra-atomic negative ion reduces the cross section of mono-atomic,diatomic and triatomic negative ions for high energy photons,while for low energy photons it becomes four times the cross section of mono-atomic negative ions.

关键词： Electron polarized Investigation

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Transferability of microsatellite markers from Brachypodium distachyon to miscanthus sinensis,a Potential Biomass Crop

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Journal of Integrative Plant Biology 2011年第3期53卷 232-245页

作者： Hua zhao Jiangyan Yu Frank m. You mingcheng Luo Junhua Peng Key Laboratory of Plant Germplasm Enhancement and Specialty Agriculture Wuhan Botanical Garden the Chinese Academy of Sciences Wuhan 430074 China Department of Plant Sciences University of California Davis CA 95616 USA Department of Soil and Crop Sciences Colorado State University Fort Collins CO 80523-1170 USA

miscanthus sinensis has high biomass yield and contributed two of the three genomes in m. x giganteus, a bioenergy crop widely studied in Europe and North America, and thus is a potential biomass crop and an important germplasm for miscanthus breeding. molecular markers are essential for germplasm evaluation, genetic analyses and new cultivar development in m. sinensis. In the present study, we reported transferability of simple sequence repeat （SSR） markers from Brachypodium distachyon to m. sinensis. A set of 57 SSR markers evenly distributed across the B. distachyon genome were deliberately designed. Out of these B. distachyon SSR markers, 86.0% are transferable to m. sinensis. The SSR loci amplified in m. sinensis were validated by re-sequencing the amplicons. The polymorphism information content （PIC） of the transferable SSR markers varied from 0.073 to 0.375 with a mean of 0.263, assessed based on 21 m. sinensis genotypes. Phylogenetic tree based on 162 alleles detected by 49 SSR markers could unambiguously distinguish B. distachyon from m. sinensis, and cluster 21 m. sinensis genotypes into three groups that are basically in coincidence with their geographical distribution and ecotype classifications. The markers developed by the comparative genomic approach could be useful for germplasm evaluation, genetic analysis, and marker-assisted breeding in miscanthus.

关键词： BRACHYPODIUm mISCANTHUS mICROSATELLITES (Genetics) GENETIC markers ENERGY crops GENETIC transformation BIOmASS production

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Gallium bismuth halide GaBi-X2 （X = I, Br, CI） monolayers with distorted hexagonal framework： Novel room- temperature quantum spin Hall insulators

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Nano Research 2017年第6期10卷 2168-2180页

作者： Linyang Li Ortwin Leenaerts Xiangru Kong Xin Chen mingwen zhao Francois m. Peeters Department of Physics University of Antwerp Groenenborgerlaan 171 B-2020 Antwerp Belgium International Center for Quantum materials Peking University Beijing 100871 China School of Physics and State Key Laboratory of Crystal materials Shandong University Jinan 250700 China

Quantum spin Hall （QSH） insulators with a large topologically nontrivial bulk gap are crucial for future applications of the QSH effect. Among these, group III-V monolayers and their halides, which have a chair structure （regular hexagonal framework）, have been widely studied. Using first-principles calculations, we formulate a new structure model for the functionalized group III-V monolayers, which consist of rectangular GaBi-X2 （X = I, Br, C1） monolayers with a distorted hexagonal framework （DHF）. These structures have a far lower energy than the GaBi-X2 monolayers with a chair structure. Remarkably, the DHF GaBi-X2 monolayers are all QSH insulators, which exhibit sizeable nontrivial band gaps ranging from 0.17 to 0.39 eV. The band gaps can be widely tuned by applying different spin-orbit coupling strengths, resulting in a distorted Dirac cone.

关键词： quantum spin Hall (QSH)insulators,first-principles calculations,GaBi-X2 (X = L Br Cl)monolayers,distorted hexagonal framework,distorted Dirac cone

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Gas–liquid mass transfer and flow phenomena in a peirce–smith converter: A numerical model study

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International Journal of minerals,metallurgy and materials 2019年第9期26卷 1092-1104页

作者： Hong-liang zhao Xing zhao Liang-zhao mu Li-feng Zhang Li-qiang Yang School of metallurgical and Ecological Engineering University of Science and Technology BeijingBeijing 100083China Beijing Key Laboratory of Green Recycling and Extraction of metal Beijing 100083China Beijing Representative Office of Chambishi Copper Smelter Ltd. Beijing 100029China

A numerical model was established to simulate the flow field in a Peirce–Smith converter bath, which is extensively adopted in copper making. The mean phase and velocity distribution, circular area, and mean wall shear stress were calculated to determine the optimal operation parameter of the converter. The results showed that the slag phase gathered substantially in the dead zone. The circular flow was promoted by increasing the gas flow rate, Q, and decreasing the nozzle height, h. However, these operations significantly aggravate the wall shear stress. Reducing the nozzle diameter, d, increases the injection velocity, which may accelerate the flow field. However, when the nozzle diameter has an interval design, the bubble behaviors cannot be combined, thus, weakening the injection efficiency. Considering the balance between the circular flow and wall shear stress in this model, the optimal operation parameters were Q = 30000–35000 m^3/h, h = 425–525 mm, and d = 40 & 50 mm.

关键词： phase distribution velocity distribution wall shear stress Peirce–Smith converter

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imashup:a mashup-based framework for service composition

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Science China(Information Sciences) 2014年第1期57卷 5-24页

作者： LIU XuanZhe HUANG Gang zhao Qi mEI Hong BLAKE m.Brian Key Laboratory of High Confidence Software Technologies (Peking University) Ministry of Education School of Electronics Engineering and Computer Science Peking University Department of Computer Science and Engineering University of Notre Dame

The Web has undergone a tremendous change from a primarily publication platform towards a participatory and"programmable"platform,where a large number of heterogeneous Web-delivered services(including SOAP and RESTful Web services,RSS and Atom feeds)are *** results in the creation of Web mashup applications with rich user ***,the integration of Web-delivered services is still a challenging *** not only requires the developers’tedious eforts in understanding and coordinating heterogeneous service types,but also results in the time-consuming development of user *** this paper,we propose the imashup composition framework to facilitate mashup development and *** provide a unified mashup component model for the common representation of heterogeneous Web-delivered service *** component model specifies necessary properties and behaviors at both business and user interface *** associate the component model with semantically meaningful tags,so that mashup developers can fast understand the service *** mashup developers can search and put the proper mashup components into the Web browser based composition environment,and connect them by data flows based on the tag-based *** an integration manner might prevent some low-level programming eforts and improve the composition efciency.A series of experimental study are conducted to evaluate our framework.

关键词： service composition mashup component model Web-delivered service

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Low-α metal-rich stars with sausage kinematics in the LAmOST survey: Are they from the Gaia-Sausage-Enceladus galaxy?

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Science China(Physics,mechanics & Astronomy) 2021年第3期64卷 14-26页

作者： Gang zhao Yuqin Chen CAS Key Laboratory of Optical Astronomy National Astronomical ObservatoriesChinese Academy of SciencesBeijing 100101China School of Astronomy and Space Science University of Chinese Academy of SciencesBeijing 101408China

We search for metal-rich Sausage-kinematic(mRSK)stars with[Fe/H]>−0.8 and−100m/s in LAmOST DR5 in order to investigate the influence of the Gaia-Sausage-Enceladus(GSE)merger event on the Galactic *** the first time,we find a group of low-αmRSK stars,and classify it as a metal-rich tail of the GSE galaxy based on the chemical and kinematical *** group has slightly larger R_(apo),Z_(max) and Etot distributions than a previously-reported high-α*** low-αratio does not allow for an origin resulting from the splash process of the GSE merger event,as is proposed to explain the high-αgroup.A hydrodynamical simulation by Amarante et *** a promising solution,in which the GSE galaxy is a clumpy milky-Way analogue that develops a bimodal disk *** scenario explains the existence of mRSK stars with both high-αand low-αratios found in this *** is further supported by another new feature that a clump of mRSK stars is located at Z_(max)=3-5 kpc,which corresponds to the widely adopted disk-halo transition at|Z|∼4 *** suggest that a pile-up of mRSK stars at Zmax contributes significantly to this disk-halo transition,an interesting imprint left by the GSE merger *** results also provide an important implication on the connection between the GSE and the Virgo Radial merger.

关键词： Galactic halo spiral arms and Galactic disk chemical composition and chemical evolution kinematics and dynamics rotation

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Isovector Scalar Field Effects in Asymmetric Nuclear matter

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Communications in Theoretical Physics 2008年第1期49卷 199-206页

作者： LIU Bo SHEN Cai-Wan m. Di Toro zhao En-Guang Center of Theoretical Nuclear Physics National Laboratory of Heavy Ion Accelerator Lanzhon 730000 China Institute of High Energy Physics the Chinese Academy of Sciences Beijing 100049 China School of Science Huzhou Teachers College Huzhou 313000 China Laboratori Nazionali del Sud Via S. Sofia 62 1-95123 Catania and University of Catania Italy Institute of Theoretical Physics the Chinese Academy of Sciences Beijing 100080 China

Density-dependent parametrization models of the nucleon-meson coupfing constants, including the isovector scalar δ-field, are applied to asymmetric nuclear matter. The nuclear equation of state （EOS） and the neutron star properties are studied in a relativistic Lagrangian density, using the relativistic mean field （RmF） hadron theory. It is known that the δ-field in the constant coupling scheme leads to a larger repulsion in dense neutron-rich matter and to a definite splitting of proton and neutron effective masses, finally influences the stability of the neutron stars. We use density-dependent models of the nucleon-meson couplings to study the properties of neutron star matter and to reexamine the （^-field effects in asymmetric nuclear matter. Our calculation shows that the stability conditions of the neutron star matter can be improved in presence of the δ-meson in the density-dependent models of the coupling constants. The EOS of nuclear matter strongly depends on the density dependence of the interactions.

关键词： density-dependent relativistic hadron field theory nuclear matter equation of state neutron stars

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Preparation and adsorption behavior for metal ions and humic acid of chitosan derivatives crosslinked by irradiation

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Nuclear Science and Techniques 2007年第1期18卷 42-49页

作者： zhao Long Jaroslaw m. WASIKIEWICZ Hiroshi mITOmO Naotsugu NAGASAWA Fumio YOSHII Department of Biological and Chemical Engineering Gunma University Tenjin-cho Kiryu Gunma 376-8515 Japan Advanced materials Research Center R ＆D Laboratories Nissin Electric Co.Ltd Umezutakase-cho Ukyo-ku Kyoto 615-8686 Japan Takasaki Radiation Chemistry Research Establishment Japan Atomic Energy Research Institute Watanuki-machi Takasaki Gunma370-1292 Japan

Th/s article deals with the determination of the adsorption properties of metal ions and humic acid in wa- ter on crosslinked chitosan derivatives (carboxymethylchitosan) which were formed using the irradiation technique without any *** solubility test of these crosslinked materials were investigated in acidic,alkaline media, distilled water,and certain organic *** electron microscopic (SEm) images showed that the crosslinked chitosan derivatives possessed a porous morphological *** characteristic analyses demon- strated typically pH-dependent properties of the crosslinked *** adsorption studies were carried out by the batch method at room *** of heavy metal ions (such as Cu^(2+),Cd^(2+)) and humic acid onto crosslinked samples was found to be strongly *** kinetic studies indicated the rapid removal of metal ions,and humic acid from the aqueous ***,isothermal adsorption data revealed that Cu^(2+),Cd^(2+), and humic acid were removed by these crosslinked materials with high *** isothermal data were interpreted well by the Langmuir *** crosslinked carboxymethylated chitosan derivatives indicate favor- able adsorption of metal ions and humic acid.

关键词：金属离子腐殖酸壳聚糖衍生物辐射处理交联

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Advanced flexible electrode materials and structural designs for sodium ion batteries

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Journal of Energy Chemistry 2022年第8期31卷 108-128,I0004页

作者： Lina zhao Zhehao Qu Key Laboratory for Green Chemical Technology of ministry of Education School of Chemical Engineering and TechnologyTianjin UniversityTianjin 300072China Reactor Engineering Technology Research Institute China Institute of Atomic EnergyBeijing 102413China

With the spectacular rise of wearable and portable electronics,flexible power supplying systems with robust mechanical flexibility and high energy storage performance under various mechanical deformation conditions are imperative to be *** ion batteries(SIBs)with sustainable natural abundance,low cost and superb properties similar to equivalent lithium ion batteries(LIBs),which have shown significant potentials as energy source for flexible electronic *** this review,the recent advances in flexible electrode materials based on different types of conductive substrates are addressed and the strategies underlying rational design for flexible structures are highlighted,as well as their applications in flexible *** remaining key challenges in rational electrodes design are discussed,and perspectives for practical applications of flexible SIBs are proposed as general guidance for future research of high-performance flexible SIBs.

关键词： Flexible electronics Wearable devices Energy storage Sodium ion batteries Flexible electrode

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