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Towards advanced zinc anodes by interfacial modification strategies for efficient aqueous zinc metal batteries

Journal of Energy chemistry 2024年第6期93卷 79-110,I0003页

作者： changchun Fan Weijia Meng Jiaye Ye Key Laboratory of Bio-Inspired Smart Interfacial Science and Technology Ministry of EducationSchool of ChemistryBeihang UniversityBeijing 100191China Shaanxi Key Laboratory of New Transportation Energy and Automotive Energy Saving School of Energy and Electrical EngineeringChang’an UniversityXi’an 710061ShaanxiChina School of chemistry and Physics Faculty of ScienceQueensland University of TechnologyBrisbaneQLD 4001Australia Centre for Materials Science Queensland University of TechnologyBrisbaneQLD 4001Australia

Developing sustainable and clean energy sources(e.g.,solar,wind,and tide energy)is essential to achieve the goal of carbon *** to the discontinuous and inco nsistent nature of common clean energy sources,high-performance energy storage technologies are a critical part of achieving this *** zinc metal batteries(AZMBs)with inherent safety,low cost,and competitive performance are regarded as one of the promising candidates for grid-scale energy ***,zinc metal anodes(ZMAs)with irreversible problems of dendrite growth,hydrogen evolution reaction,self-corrosio n,and other side reactions have seriously hindered the development and commercialization of *** increasing number of researchers are focusing on the stability of ZMAs,so assessing the effectiveness of existing research strategies is critical to the development of *** review aims to provide a comprehensive overview of the fundamentals and challenges of *** rch strategies for interfacial modification of ZMAs are systematically *** features of artificial interfacial coating and in-situ interfacial coating of ZMAs are compared and discussed in detail,as well as the effect of modified interfacial ZMA on the full-battery ***,perspectives are provided on the problems and challenges of *** review is expected to offer a constructive reference for the further development and commercialization of AZMBs.

关键词： Aqueous zinc metal batteries Zinc metal anode Interfacial modification Artificial interfacial coating In-situ interfacial coating

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Investigation on Vibrational Spectra and Structures of 4-Mercaptopyridine Monomer and Its Dihydrate

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Chemical Research in Chinese Universities 2006年第1期22卷 90-93页

作者： CHENG Jian-bo 1,2 , XUE Wei-qing 1 , ZHAO Bing 1** , ZHANG Gang 3.and GONG Bao-an 2 1. Key Laboratory for Supramolecular Structure and Material of Ministry of Education, Jilin university, changchun 13.012, P. R. China 2. Science and Engineering college of {3. and Biology, Yantai university, Yantai 264005, P. R. China 3. State Key Laboratory of Theoretical and Computational {3., Jilin university, changchun 13.023. P. R. China [a]Key Laboratory for Supramolecular Structure and Material of Ministry of Education Jiln University Changchun 130012 P. R. China[b]Science and Engineering College of Chemistry and Biology Yantai University Yantai 264005 P. R. China[c]State Key Laboratory of Theoretical and Computational Chemistry Jiln University Changchun 130023 P. R. China

The optimized molecular structures and vibrational frequencies of 4-mercaptopyridine(4MPY) monomer and its dihydrate were studied by means of the density functional theory(DFT), viz. B3.YP method with the 6-3.1++G(d,p) basis set. On the basis of the calculations, the assignments of the vibrational spectra of the monomer and the dihydrate were performed, and so were investigated the changes in the structure and the vibrational spectrum of the dihydrate as well as the intermolecular force resulting in the formation of the dihydrate. The calculated results show that each of the water molecule planes is vertical to the pyridine ring plane in the dihydrate that is formed via the H-bonds between 4MPY and water molecules. Furthermore, the structure and the vibrational spectrum of 4MPY can be consi- derably affected by the water molecules.

关键词： 4MPY Dihydrate Vibrational spectra DFT Molecular structure

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Theoretical studies on Ru(fppz)_2(CO)L (L=N-heterocyclic ligand):Electronic structure,absorption,phosphorescence,and solvatochromism

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Science China chemistry 2008年第12期51卷 1211-1220页

作者： LIU Tao1, ZHOU Xin1, BAI FuQuan1, ZHANG JianPo1, XIA BaoHui1,2, PAN QingJiang3.& ZHANG HongXing1 1 State Key Laboratory of Theoretical and Computational chemistry, Institute of Theoretical chemistry, Jilin university, {3. 13.023. China 2.college of chemistry, Jilin university, {3. 13.023. China 3.Laboratory of Physical chemistry, School of chemistry and Materials Science, Heilongjiang university, Harbin 150080, China State Key Laboratory of Theoretical and Computational chemistry Institute of Theoretical Chemistry Jilin University Changchun 130023 China college of chemistry Jilin University Changchun 130023 China Laboratory of Physical chemistry School of Chemistry and Materials Science Heilongjiang University Harbin 150080 China

A series of ruthenium(II) complexes Ru(fppz)2(CO)L [fppz = 3.trifluoromethyl-5(2-pyridyl)pyrazole; L = pyridine (1), 4-dimethylaminopyridine (2), 4-cyanopyridine (3.] were designed and investigated theo-retically to explore their electronic structures, absorption, and emissions as well as the solvatochrom-ism. The singlet ground state and triplet excited state geometries were fully optimized at the B3.YP/LANL2DZ and CIS/LANL2DZ level, respectively. The HOMO of 1-3.is composed of dyz(Ru) atom and π(fppz). The LUMO of 1 and 2 is dominantly contributed by π*(fppz) orbital, but that of 3.is con-tributed by π*(L). Absorption and phosphorescence in vacuo, C6H12, and CH3.N media were calculated using the TD-DFT level of theory with the PCM model based on the optimized ground and excited state geometries, respectively. The lowest-lying absorption of 1 and 2 at 3.7 and 3.1 nm is attributed to {[dyz(Ru) + π(fppz)] → [π*(fppz)]} transition, but that of 3.at 479 nm is assigned to {[dyz(Ru) + π(fppz)] → [π*(L)]} transition. The phosphorescence of 1 and 2 at 43. and 43. nm originates from 3.[dyz(Ru) + π(fppz)] [π*(fppz)]} excited state, while that of 3.at 606 nm is from 3.[dyz(Ru) + π(fppz)] [π*(L)]} excited state. The calculation results showed that the absorption and emission transition character can be changed from MLCT/ILCT to MLCT/LLCT transition by altering the substituent on the L ligand. The phosphorescence of 1 and 2 does not have solvatochromism, but that of 3.at 606 nm (vacuo), 584 nm (C6H12), and 541 nm (CH3.N) is strongly dependent on the solvent polarity, so introducing elec-tron-withdrawing group on ligand L will induce remarkable solvatochromism.

关键词： ruthenium complex DFT phosphorescence solvatochromism

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Surface effects of monolayer-protected gold nanoparticles on the redox reactions between ferricyanide and thiosulfate

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Science China chemistry 2005年第5期48卷 424-430页

作者： LI Di1, SUN Chunyan1, HUANG Yunjie1, LI Jinghong1,2 & CHEN Shaowei3.1. State Key Laboratory of Electroanalytical chemistry, changchun Institute of Applied chemistry, Chinese Academy of Sciences, changchun 13.022, China 2. Department of chemistry, Tsinghua university, Beijing 100084, China 3. Department of chemistry, university of California, Santa Cruz, Santa Cruz, CA 95064, USA 1. State Key Laboratory of Electroanalytical chemistry changchun Institute of Applied chemistry Chinese Academy of Sciences 130022 Changchun China 2. Department of chemistry Tsinghua University 100084 Beijing China 3. Department of chemistry University of California 95064 Santa Cruz Santa Cruz CA USA

Electron transfer through the self-assembled monolayers (SAMs) on gold nanopar-ticles is investigated by using the monolayer protected gold nanoclusters (MPCs) as elec-tron-transfer mediators. 3.Mercaptopropionic acid (MPA) and 11-meraptoundecanoic acid (MUA) MPCs were employed to catalyze the redox reaction between potassium ferricyanide and sodium thiosulfate. The catalytic mechanism was proposed that the MPCs act as diffusing elec-tron-mediators and electron transfers to and from the MPCs surface. Therefore the electron transfer rate through the capping layers would be proportional to the MPCs catalyzed reaction rate, which was monitored by the UV absorbance of ferricyanide. The calculated apparent rate constant was orders of magnitude smaller than that of the maximum of tunneling current, which was attributed to the splited energy level of the nanoscale particles.

关键词： electron transfer, three-dimensional self-assembled monolayers, redox reaction, electron transfer mediator, surface effect.

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Mathematic Expression of Kinetic Compensation Effect and Relationship between the Exothermic Decomposition Temperature and Critical Temperature of Thermal Explosion of Eighty-six Energetic Materials

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含能材料 2001年第1期9卷 8-9页

作者： HU Rong zu 1, YANG De suo 2, ZHANG Jiao qiang 3. (1. Department of chemistry,Northwest university, Xi′an 710065, China 2. Department of chemistry and Chemical Engineering, Baoji {3. of Arts and Science, Baoji 721007, China 3. Department of 西北大学陕西西安 710065 宝鸡文理学院陕西 721007 西北工业大学陕西西安 710072

Two relationships are established using the least squares method,between the kinetic parameters (the apparent activation energy and pre exponential constant),and the exothermic decomposition temperature and ther... 详细信息

关键词： critical temperature of thermal explosion decomposition temperature DSC energetic materials.

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Effect of strontium substitution on the activity of La_(2-x)Sr_xNiO_4(x=0.0-1.2)in NO decomposition

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Science China chemistry 2007年第1期50卷 41-46页

作者： ZHU JunJiang 1 ,YANG XiangGuang 2 ,XU XueLian 3.&WEI KeMei 1 1 National Research Center of Chemical Fertilizer Catalysts,Fuzhou university,Fuzhou 3.0002,China 2 changchun Institute of Applied chemistry,Chinese Academy of Sciences,changchun 13.022,China 3.4} of chemistry&Chemical Engineering,Fuzhou university,Fuzhou 3.0002,China 1. National Research Center of Chemical Fertilizer Catalysts Fuzhou University Fuzhou 350002 China 2. changchun Institute of Applied chemistry Chinese Academy of Sciences Changchun 130022 China 3. college of chemistry & Chemical Engineering Fuzhou University Fuzhou 350002 China

The aim of this work is to study the effect of Sr substitution on the redox properties and catalytic ac- tivity of La2-xSrxNiO4(x=0.0-1.2)for NO *** suggest that the x=0.6 sample shows the highest *** characterization(TPD,TPR,etc.)of samples indicates that the x=0.6 sample possesses suitable abilities in both oxidation and reduction,which facilitates the proceeding of oxygen desorption and NO *** temperature below 700℃,the oxygen desorption is difficult, and is the rate-determining step of NO *** the increase of reaction temperature(T> 700℃),the oxygen desorption is favorable and,the active adsorption of NO on the active site(NO+Vo+ Ni2+→NO^--Ni3.)turns out to be the rate-determining *** existence of oxygen vacancy is the prerequisite condition for NO decomposition,but its quantity does not relate much to the activity.

关键词： NO decomposition La2-xSrxNiO4 TPD TPR oxygen vacancy

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Characterizing structural variants based on graph-genotyping provides insights into pig domestication and local adaption

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Journal of Genetics and Genomics 2024年第4期51卷 394-406页

作者： Xin Li Quan Liu Chong Fu Mengxun Li changchun Li Xinyun Li Shuhong Zhao Zhuqing Zheng Key Lab of Agricultural Animal Genetics Breeding and Reproduction of Ministry of Education and Key Laboratory of Swine Genetics and Breeding of Ministry of AgricultureCollege of Animal Science and TechnologyHuazhong Agricultural UniversityWuhanHubei 430070China Institute of Agricultural Biotechnology Jingchu University of TechnologyJingmenHubei 448000China The Cooperative Innovation Center for Sustainable Pig Production WuhanHubei 430070China Hubei Hongshan Laboratory WuhanHubei 430070China

Structural variants(SVs),such as deletions(DELs)and insertions(INSs),contribute substantially to pig genetic diversity and phenotypic *** a library of SVs discovered from long-read primary assemblies and short-read sequenced genomes,we map pig genomic SVs with a graph-based method for re-genotyping SVs in 402 *** results demonstrate that those SVs harboring specific trait-associated genes may greatly shape pig domestication and local *** characterization of SVs reveals that some population-stratified SVs may alter the transcription of genes by affecting regulatory *** identify that the genotypes of two DELs(296-bp DEL,chr7:52,172,101e52,172,3.7;278-bp DEL,chr18:23.840,143.e23.840,421)located in muscle-specific enhancers are associated with the expression of target genes related to meat quality(FSD2)and muscle fiber hypertrophy(LMOD2 and WASL)in *** results highlight the role of SVs in domestic porcine evolution,and the identified candidate functional genes and SVs are valuable resources for future genomic research and breeding programs in pigs.

关键词： Pigs Structural variation Selection signatures Regulatory elements

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Mitochondrial DNA analysis of ancient Sampula population in Xinjiang

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Progress in Natural Science:Materials International 2007年第8期17卷 927-933页

作者： Xie Chengzhi~(1,2) Li Chunxiang~2 Cui Yinqiu~(1,2) Cai Dawei~(1,2) Wang Haijing~2 Zhu Hong~1 Zhou Hui~(1,2**) (1.Research Center for Chinese Frontier Archaeology,Jilin university,changchun 13.012,China 2.college of Life Science,Jilin university,changchun 13.023.China) [a]Research Center for Chinese Frontier Archaeology Jilin University Changchun China [b]college of Life Science Jilin University Changchun China

The archaeological site of Sampula cemetery was located about 14 km to the southwest of the Luo County in Xinjiang Khotan,China,belonging to the ancient Yutian kingdom.14C analysis showed that this cemetery was used from 217 *** 283.A.D. Ancient DNA was analyzed by 3.4 bp of the mitochondrial DNA hypervariable region I （mtDNA HVR-I）,and by six restriction fragment length polymorphism （RFLP） sites of mtDNA coding *** successfully extracted and sequenced intact stretches of maternally inher- ited mtDNA from 13.out of 16 ancient Sampula *** analysis of mtDNA haplogroup distribution showed that the ancient Sampula was a complex population with both European and Asian *** joining network of U3.sub-haplogroup and multi-dimen- sional scaling analysis all showed that the ancient Sampula had maternal relationship with Ossetian and Iranian.

关键词： ancient DNA mitochondrial DNA Sampula ancient populations

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A local spin evaluation into the active site models of [2Fe2S] ferrodoxin [Fe_2S_2(SR)_4]^(2-) (R=-H, -CH_3.

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Science China chemistry 2007年第3期50卷 327-334页

作者： WEI JiChong1,2, WANG Yan3.& JU GuanZhi2,3.1 Department of chemistry, Hainan Normal university, Haikou 571158, China 2 State Key Laboratory of Theoretical and Computational chemistry, Jilin university, changchun 13.023. China 3.Department of chemistry, Nanjing university, Nanjing 210093. China 1. Department of chemistry Hainan Normal University Haikou 571158 China 2. State Key Laboratory of Theoretical and Computational chemistry Jilin University Changchun 130023 China 3. Department of chemistry Nanjing University Nanjing 210093 China

To test the feasibility of local spin theory of Davidson and Clark for ferrodoxin clusters, the models [Fe2S2(SR)4]2- (R=-H, -CH3. are chosen for evaluation. This purpose is realized by calculating the local spin expectation values , 2 >, and mA and discussing the connection between these expected values and the Heisenberg spin model (HSM) and the Noodleman broken-symmetry approach. In practical calculation, the spin-unrestricted Hartree-Fock (UHF) and spin-polarized density functional theory (DFT) are used and the calculational qualities of these two methods are also discussed. In addition, the theoretical magnetic coupling constants JAB of these models are calculated by various computational schemes for comparison with both theoretical and experimental results previously reported.

关键词： local spin iron-sulfur protein model density function theory magnetic coupling constant

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Meet Our New Editorial Board Members of Spotlights

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Chinese Journal of chemistry 2024年第16期42卷 1932-1936页

作者： Editorial Office of Chinese Journal of chemistry 不详

Editorial Board Member of *** ***,college of Materials Science and Engineering Beijing university of Chemical ***:2006-2010,B.S.,Materials Science and Engineering,Beijing university of Chemical Technology.2010-2015,Ph... 详细信息

关键词： Spotlight Editorial Board

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