Art

J-GLOBAL ID：201602227116196240   Reference number：16A1358261

Atomic-Configuration Analysis on LiNi_0.5Mn_0.5O₂ by Reverse Monte Carlo Simulation

逆モンテカルロシミュレーションによるLiNi_0.5Mn_0.5O₂の原子配置解析

Author (5)： KITAMURA Naoto (Department of Pure and Applied Chemistry, Faculty of Science and Technology, Tokyo University of Science) ,  KITAMURA Naoto (Advanced EC Device Research Division, Research Institute for Science and Technology, Tokyo University of Science) ,  ISHIDA Naoya (Department of Pure and Applied Chemistry, Faculty of Science and Technology, Tokyo University of Science) ,  IDEMOTO Yasushi (Department of Pure and Applied Chemistry, Faculty of Science and Technology, Tokyo University of Science) ,  IDEMOTO Yasushi (Advanced EC Device Research Division, Research Institute for Science and Technology, Tokyo University of Science)
Material： 電気化学および工業物理化学  (Electrochemistry)
Volume： 84  Issue： 10  Page： 789-792(J-STAGE)  Publication year： 2016 
JST Material Number： G0072A  ISSN： 1344-3542  CODEN： EECTFA  Document type： Article
Article type： 原著論文  Country of issue： Japan (JPN)  Language： ENGLISH (EN)

Thesaurus term： *lithium compound ,  *nickel compound ,  *manganate ,  *arrangement ,  *simulation ,  rock-salt type crystal ,  neuron ,  structure factor ,  distribution function ,  Bragg reflection ,  internuclear distance ,  ionic radius ,  lamellar structure ,  bond angle ,  structure ,  lithium ion battery ,  neutron scattering ,  laminate structure ,  crystal structure ,  *Monte Carlo simulation ,  local structure
Semi thesaurus term： *atomic configuration ,  pair distribution function ,  bond length ,  lamellar structure

Author keywords (4)： Reverse Monte Carlo Simulation ,  Lithium-ion Battery ,  Cathode ,  Neutron Total Scattering

JST classification (4)： Bases,metal oxides  (CD01030Z) ,  Crystal structure of metal oxides and chalcogenides  (BK07020Y) ,  Electrode process  (CB07040U) ,  Secondary batteries  (YB04030K)

Reference (17)：

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• 5) J. Bréger, K. Kang, J. Cabana, G. Ceder, and C. P. Grey, J. Mater. Chem., 17, 3167 (2007).

Terms in the title (3)： モンテカルロシミュレーション ,  原子配置 ,  解析