A Crystallographic Reinvestigation of Li1.2Mn0.6Ni0.2O2

• Despite substantial research interest, the crystallography of the promising Li-ion positive electrode material, Li1.2Mn0.6Ni0.2O2, remains disputed. The dispute is predicated on the description of the cationic arrangement in the structure, and multiple structure models have been proposed. This study attempts to provide a fresh perspective to this debate through a multi-scalar structural characterisation of Li1.2Mn0.6Ni0.2O2. Combining Bragg diffraction, transmission electron microscopy and magnetic measurements with reverse Monte Carlo analysis of total scattering data, a quantitative structural description of Li1.2Mn0.6Ni0.2O2 is developed and the existing single- and multi-phase structural descriptions of this compound have been unified. Furthermore, the merits and drawbacks of each technique is evaluated with respect to the crystallography of Li1.2Mn0.6Ni0.2O2 to explain the factors that have contributed to the lack of clarity pervading the structural description of this material. It is envisioned that a better understanding of the crystallography of Li1.2Mn0.6Ni0.2O2 contributes to harnessing the electrochemical potential of this compound.  

Subject headings

NATURVETENSKAP  -- Kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences (hsv//eng)

Keyword

Li1.2Mn0.6Ni0.2O2

Li- and Mn-rich layered oxides

cathode materials

pair distribution function analysis

reverse Monte Carlo analysis

Kemi med inriktning mot materialkemi

Chemistry with specialization in Materials Chemistry

Publication and Content Type

vet (subject category)

ovr (subject category)