Anisotropic Lattice Strain of Composite Materials of LiMnO2 and H/D-Substituted Chiral Cyanide-Bridged Ni（Ⅱ）-Fe（Ⅲ） Coordination Polymers  

作　　者：Masaki Kobayashi Takashiro Akitsu 

机构地区：[1]Department of Chemistry, Faculty of Science, Tokyo University of Science, Tokyo 162-8601, Japan

出　　处：《Journal of Chemistry and Chemical Engineering》2014年第6期557-563,共7页化学与化工（英文版）

摘　　要：Composite materials composed of LiMnO2, a typical electrode material for lithium ion battery, and a chiral cyanide-bridged Ni（Ⅱ）-Fe（Ⅲ） coordination polymer [NiL2][Fe（CN）6]·4H2O （Ni-Fe, H-form） （L = （1R,2R）-（-）-1,2-cyclohexane-diamine） or its deuterium isomer, [NiL2][Fe（CN）6]·4D2O （Ni-Fe, D-form） have been prepared by the various ratios （w/w） of Ni-Fe：LiMnO2 = 10：0 （pure Ni-Fe）, 9：1, 8：2, 7：3, 6：4, 5：5, 4：6, 3：7, 2：8, 1：9 and 0：10 （pure LiMnO2）. Gradual shift of IR （infrared） spectra by changing the ratios and losing difference between H-form and D-form of Ni-Fe due to isotope effects revealed adsorption of Ni-Fe onto LiMnO2 to form composite materials. Formation of composite materials of Ni-Fe and LiMnO2 could be also proved losing ferromagnetic behavior of LiMnO2 on increasing of the ratios of Ni-Fe in each composite. In contrast to smoothly positive thermal expansion of pure LiMnO2 along the crystallographic b axis, variable temperature powder XRD （X-ray diffraction） patterns at 100-300 K of the composite materials exhibited thermally-accessible lattice distortion along the b axis with different ratios. It is also proved deviation of ideal linear correlation of an evaluation function, In K = a/T ＋ b （where, K = （d（T） - d（0））/d（T）, d（T） denotes nλ/（sin 2θ） at T （K））.

关 键 词：TD-DFT （time-depcndent density functional theory） LIMNO2 coordination polymers composites XRD anisotropy. 

分 类 号：O614.121[理学—无机化学] TM912[理学—化学]