| 摘要 |
<P>PROBLEM TO BE SOLVED: To provide a selection method of a substituent element for an active material, capable of selecting a substituent element for enhancing the thermal stability as the Ni of LiNiO<SB POS="POST">2</SB>correctly. <P>SOLUTION: In the selection method of a substituent element for an active material having a layer rock-salt structure represented by a general formula LiNi<SB POS="POST">1-x</SB>M<SB POS="POST">x</SB>O<SB POS="POST">2</SB>(M is a substituent element for Ni, and a metal element of group 2-14, where 0<x≤0.1), most stable energies E<SB POS="POST">1a</SB>, E<SB POS="POST">1b</SB>, E<SB POS="POST">2a</SB>, and E<SB POS="POST">2b</SB>of Li<SB POS="POST">0.5</SB>Ni<SB POS="POST">1-x</SB>M<SB POS="POST">x</SB>O<SB POS="POST">2</SB>, Li<SB POS="POST">0.5</SB>NiO<SB POS="POST">2</SB>, LiNi<SB POS="POST">2-2x</SB>M<SB POS="POST">2x</SB>O<SB POS="POST">4</SB>, and LiNi<SB POS="POST">2</SB>O<SB POS="POST">4</SB>are calculated by a predetermined calculation method, and such a substituent element as the difference ΔE<SB POS="POST">a</SB>obtained by subtracting the E<SB POS="POST">2a</SB>from the E<SB POS="POST">1a</SB>is smaller than the ΔE<SB POS="POST">b</SB>obtained by subtracting the E<SB POS="POST">2b</SB>from the E<SB POS="POST">1b</SB>is selected. <P>COPYRIGHT: (C)2013,JPO&INPIT |
