CATION

作品数:676被引量:1271H指数:12
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相关领域:理学更多>>
相关作者:李晓琴乔辉单安山徐海松刘岳更多>>
相关机构:东北农业大学中国科学院国防科学技术大学北京大学更多>>
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相关基金:国家自然科学基金国家重点基础研究发展计划中国博士后科学基金北京市自然科学基金更多>>
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Effect of Flow-rate Induced Cation Mixing and Particle Size Tuning on the Structure and Electrochemical Properties of LiNi0.8Co0.1Mn0.1O2 Synthesized by Spray Drying
《Chinese Journal of Structural Chemistry》2020年第1期164-173,6,共11页LIN Chang-Xin ZHNAG Xiang-Xin LIU Yong-Chuan CHEN Su-Jing WANG Wei ZHANG Yi-Ning 
Supported by the National Natural Science Foundation of China(No.51602310);Fujian Provincial Department of Science and Technology(2019T3017);the DNL Cooperation Fund,CAS(DNL180308)。
Lithium ion battery cathode material LiNi0.8Co0.1Mn0.1O2(NCM811)was synthe-sized via a spray drying method.The effect of different spray drying flow-rates(200,250,300,and 400 mL·min^-1)on the structural and electroch...
关键词:lithium ion battery nickel-rich CATHODE material SPRAY DRYING SPRAY DRYING FLOW-RATE CATHODE materials 
A New 1D Iodoargentate Chain Based on Heptameric Ag7I13 Building Units Templated by Transition-metalcomplex Cation: Structure, Fluorescence and Visible Light Responding Photocatalytic Property
《Chinese Journal of Structural Chemistry》2019年第8期1320-1328,共9页WANG Min ZHAO Hua 
Using transition-metal-complex cation as the structure-directing agent, a novel one-dimensional(1D) iodoargentate-based hybrid, namely, {[Co(2,2’-bipy)3]2(Ag7I11)·3H2O}n(1) has been synthesized and structurally char...
关键词:ORGANIC-INORGANIC hybrid iodoargentate PHOTOCATALYTIC degradation 
Quantum Chemistry Study on Benzimidazoledithi Derivatives' Selective Pre-enrichment of Cadmium Cation
《Chinese Journal of Structural Chemistry》2018年第12期1860-1868,1843,共10页LI Shao-Yuan GENG Chao YANG Zi-Heng YANG Xi CHEN Xiu-Min CHEN Xiu-Hua MA Wen-Hui 
supported by the National Natural Science Foundation of China(No.51504117,61764009,51762043);Yunnan Youth Fund Project(2016FD037);Talent Development Program of KUST(KKSY201563032);the Program for Innovative Research Team in University of Ministry of Education of China(No.IRT_17R48)
This work reports the mechanism of benzimidazoledithi(BDT) derivatives’ selective pre-enrichment of Cd2+under the stimulation of glutathione(GSH). The geometric and electronic properties of five BDT-M2+complexes(M = ...
关键词:benzimidazoledithi(BDT) derivatives selective pre-enrichment GLUTATHIONE cadmium ion density functional theory 
Synthesis,Crystal Structure and Optical and Photocatalytic Properties of a Discrete Cuprous Iodide Compound with a Transition Metal Complex Cation被引量:2
《Chinese Journal of Structural Chemistry》2017年第1期25-32,共8页张波 张杰 冯美玲 叶晓云 黄小荥 
Supported by the NNSFC(No.21373223);Chunmiao project of Haixi Institute of Chinese Academy of Sciences(CMZX-2014-001)
With transition metal complex, a discrete cuprous iodide compound, namely, [Ni(phen)3]2Cu6I10(1, phen = 1,10-phenanthroline) has been solvothermally synthesized and structurally characterized. Single-crystal X-ray...
关键词:cuprous iodide transition metal complex crystal structure photocatalysis 
Theoretical Study of Hydrated Cd^(2+) Interactions with Guanine
《Chinese Journal of Structural Chemistry》2012年第1期139-148,共10页王敏 洒荣建 吴克琛 李巧红 韦永勤 
supported by the NNSFC (20973174);the Young Scientist Fund of NSFC (81001403);the Youth Innovation Fund;the Institute Key Program (SZD08003) of FJIRSM
Theoretical study was performed to investigate how the hydration of cadmium ca-tion influences the structure and properties of guanine.The aqueous environment was simulated by both explicit solvent(1-5 water molecule...
关键词:hydrated cadmium cation GUANINE DFT calculations stabilization energy 
Two Polymorphs of the Inclusion Compound [(n-C_4H_9)_4N]^+·(C_(13)H_9O_3)^-·H_2O
《Chinese Journal of Structural Chemistry》2011年第7期957-964,共8页杨云霞 李可 李奇 
Two polymorphs of the inclusion compound [(n-C4H9)4N]+'(C13H903)H2O have been prepared and characterized by X-ray crystallography. Polymorph 1: triclinic P1, a = 13.4982(2), b = 13.5743(2), c = 17.1996(2)...
关键词:4 4-dihydroxybenzophenone POLYMORPH tetrabutylammonium cation crystal structure inclusion compound 
COS Activation by Zr^+ in the Gas Phase:A Case of Two-state Reactivity Process
《Chinese Journal of Structural Chemistry》2011年第2期216-224,共9页余仕问 侯能帮 缪应纯 林雪飞 杨思娅 谢小光 
Suppoted by the Science Foundation of Qujing Normal School (No. 2008QN004);the Scientific Research Fund of Yunnan Provincial Education (No. 09C0187);the Scientific Research Fund of Yunnan Provincial Education (No. 09Y0392)
To elucidate the mechanisms of Zr + reacting with COS,both the quartet and doublet potential energy surfaces (PESs) for reactions of Zr + (4 F,2 D) with COS in the gas phase have been investigated in detail by m...
关键词:zirconium cation COS reaction mechanism DFT CCSD (T) 
Theoretical Study on the Reaction of FeS^+(~6Σ^+,~4Ф) with COS in the Gas Phase
《Chinese Journal of Structural Chemistry》2010年第12期1848-1856,共9页张令霞 胡栋宝 杨晓梅 马舒野 李涛洪 谢小光 
Supported by NNSFC (20563005);the General Program of the Applied Basic Research of Science and Technology Department of Yunnan Province (No. 2008ZC095)
The possible reaction mechanisms of FeS+(6Σ+ and 4Ф states) with COS in the gas phase have been studied by using density functional theory at the B3LYP/TZVP and B3LYP/6-311+G* levels:the O/S exchange reaction...
关键词:iron sulfide cation COS reaction mechanism B3LYP 
Theoretical Study on the Gas Phase Reaction of Au^+ with CS_2
《Chinese Journal of Structural Chemistry》2010年第9期1347-1352,共6页李涛洪 余仕问 刘祥义 谢小光 
Supported by the General Program of the Applied Basic Research of Science and Technology Department of Yunnan Province (No.2008ZC095);the Scientific Research Fund of Yunnan Provincial Education Department (No.08Y0195);supported by the Key Laboratory of Forest Resources Conservation and Use in the Southwest Mountains of China (Southwest Forestry University)
The reaction of Au+(1S,3D) with CS2 has been investigated at the B3LYP and CCSD(T) levels of theory.The identified reaction pathways revealed that the experimentally observed products,AuS+ and AuCS+,can be prod...
关键词:gold cation carbon disulfide INSERTION theoretical study 
Synthesis and Crystal Structure of a Novel Ion-pair Compound Consisting of 1,3-Bis(4-cynobenzyl) Imidazole Cation and 7,7,8,8-Tetracyanoquinodimethanide Anion
《Chinese Journal of Structural Chemistry》2010年第6期900-904,共5页陈友存 王芳芳 王彦 汪快兵 
Supported by the National Natural Science Foundation of China (No. 20771006);Natural Science Foundation of Anhui Province (No. 2006kj042a);Education Committee of Anhui Province (KJ2008B005)
A novel compound [(CNBz)2Im]2(TCNQ)3(CH3CN)((CNBz)2Im = 1,3-bis(4-cyano-benzyl) imidazole cation,TCNQ-1 = 7,7,8,8-tetracyanoquinodimethanide anion) was synthesized by the reaction of [(CNBz)2Im]Br and Li...
关键词:TCNQ crystal structure ion-pair compound 
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