Material research technology Material research technology

Material research technology

High precision material research technology

When researching new battery materials, it takes a very long time to obtain large numbers of materials and to perform material synthesis and experiments. Therefore, material simulation via computational science has recently been attracting attention.
In one simulation called first-principles calculation, it is possible to calculate the orbits and energies of electrons in a substance with a computer, obtain the properties of various substances from the results, and search for materials with desired properties.

FDK's original technology

FDK has been engaged in the development of materials using calculations for many years, and is conducting practical research that considers the principles of calculation, the theory of electronic structures, and the manufacturing process from a crystallographic point of view.

An example of material development using this method is Li2CoP2O7. We searched for all-solid state battery positive electrode materials using first-principles calculation, and found Li2CoP2O7 as shown in the figure below.
Li2CoP2O7 was confirmed to have a discharge capacity of 150mAh/g at a high potential as shown in the charging curve in the figure.

Crystal structure of Li2CoP2O7

Positive material charging curves