52 citations
3 papers
cond-mat.mtrl-sci2020★ 10 cited
Synergy of Binary Substitutions for Improving the Cycle Performance in LiNiO2 Revealed by Ab Initio Materials Informatics
Tomohiro Yoshida, Ryo Maezono, Kenta Hongo
We explore LiNiO2-based cathode materials with two-element substitutions by an ab initio simulation based materials informatics (AIMI) approach. According to our previous study, a…
cond-mat.mtrl-sci2019★ 52 cited
Electrochemical Properties and Crystal Structure of Li+ / H+ Cation-exchanged LiNiO2
Takahiro Toma, Ryo Maezono, Kenta Hongo
LiNiO2 has high energy density but easily reacts with moisture in the atmosphere and deteriorates. We performed qualitative and quantitative evaluations of the degraded phase of Li…
cond-mat.mtrl-sci2019★ 41 cited
First-Principles Study of Structural Transition in LiNiO2 and High Throughput Screening for Long Life Battery
Tomohiro Yoshida, Kenta Hongo, Ryo Maezono
Herein, we performed ab initio screening to identify the best doping of LiNiO2 to achieve improved cycle performance in lithium ion batteries. The interlayer interaction that domin…