作者: Naoaki Yabuuchi , Yukinori Koyama , Noriaki Nakayama , Tsutomu Ohzuku
DOI: 10.1149/1.1924227
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摘要: LiCo 1 / 3 Ni Mn O 2 was prepared and characterized by scanning electron microscopy (SEM), high-resolution transmission (HRTEM), diffraction (ED), X-ray (XRD), absorption fine structure (XAFS) to examine whether or not our first-principles calculation properly predicted a new lithium insertion material of . High-resolution TEM image directly showed the layered having cubic close-packed oxygen array. The [00.1]-zone pattern [√3 x √3]R30°-type superlattice ordering in transition metal layers. Rietveld analysis powder XRD indicated that structural model with space group symmetry P3 12 present X based on α-NaFeO -structural type adequate rather than simply formulated R3m. Me-O bond lengths, i.e., 1.93, 2.03, 1.92 A, respectively, for Co, Ni, Mn, obtained K-edge EXAFS, were compared those calculated from data determined assuming also calculation. These values consistent each other, which (P3 12; = 4.959 c 14.254 A) consisting Co + (t 6 g e 0 ), 4 ).