Premium
Design of Surface Doping for Mitigating Transition Metal Dissolution in LiNi 0.5 Mn 1.5 O 4 Nanoparticles
Author(s) -
Lim JinMyoung,
Oh RyeGyeong,
Kim Duho,
Cho Woosuk,
Cho Kyeongjae,
Cho Maenghyo,
Park MinSik
Publication year - 2016
Publication title -
chemsuschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.412
H-Index - 157
eISSN - 1864-564X
pISSN - 1864-5631
DOI - 10.1002/cssc.201600821
Subject(s) - dissolution , spinel , materials science , dopant , lithium (medication) , titanium , cathode , oxide , transition metal , electrochemistry , nanoparticle , chemical engineering , doping , metal , inorganic chemistry , nanotechnology , metallurgy , chemistry , electrode , catalysis , medicine , biochemistry , optoelectronics , engineering , endocrinology
In lithium‐ion batteries (LIBs) comprising spinel cathode materials, the dissolution of transition metals (TMs) in the cathodes causes severe cyclic degradation. We investigate the origin and mechanism of surface TM dissolution in high‐voltage spinel oxide (LiNi 0.5 Mn 1.5 O 4 ) nanoparticles to find a practical method for its mitigation. Atomic structures of the LiNi 0.5 Mn 1.5 O 4 surfaces are developed, and the electronic structures are investigated by first‐principles calculations. The results indicate that titanium is a promising dopant for forming a more stable surface structure by reinforcing metal–oxygen bonds in LiNi 0.5 Mn 1.5 O 4 . Experimentally synthesized LiNi 0.5 Mn 1.5 O 4 with titanium surface doping exhibits improved electrochemical performance by suppressing undesirable TM dissolution during cycles. The theoretical prediction and experimental validation presented here suggest a viable method to suppress TM dissolution in LiNi 0.5 Mn 1.5 O 4 .