Intrinsic Role of Cationic Substitution in Tuning Li/Ni Mixing in High-Ni Layered Oxides | Zendy

Dawei Wang | Zendy; Chao Xin | Zendy; MingJian Zhang | Zendy; Jianming Bai | Zendy; Jiaxin Zheng | Zendy; Ronghui Kou | Zendy; Jun Young Peter Ko | Zendy; Ashfia Huq | Zendy; Guiming Zhong | Zendy; ChengJun Sun | Zendy; Yong Yang | Zendy; Zonghai Chen | Zendy; Yinguo Xiao | Zendy; Khalil Amine | Zendy; Feng Pan | Zendy; Feng Wang | Zendy

AI Assistant Blog Pricing

Home ZAIA Blog

Open Access

Intrinsic Role of Cationic Substitution in Tuning Li/Ni Mixing in High-Ni Layered Oxides

Author(s) -

Dawei Wang,

Chao Xin,

MingJian Zhang,

Jianming Bai,

Jiaxin Zheng,

Ronghui Kou,

Jun Young Peter Ko,

Ashfia Huq,

Guiming Zhong,

ChengJun Sun,

Yong Yang,

Zonghai Chen,

Yinguo Xiao,

Khalil Amine,

Feng Pan,

Feng Wang

Publication year - 2019

Publication title -

chemistry of materials

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 3.741

H-Index - 375

eISSN - 1520-5002

pISSN - 0897-4756

DOI - 10.1021/acs.chemmater.8b04673

Subject(s) - materials science , nickel , frustration , octahedron , cationic polymerization , electrochemistry , transition metal , cathode , mixing (physics) , ab initio quantum chemistry methods , chemical physics , crystallography , inorganic chemistry , chemistry , crystal structure , condensed matter physics , catalysis , metallurgy , electrode , biochemistry , physics , organic chemistry , quantum mechanics , molecule , polymer chemistry

Nickel-rich transition-metal (TM) layered oxides, particularly those with high Ni content, attract worldwide interest for potential use as high-capacity cathodes in next-generation Li-ion batteries. However, as Ni loading increases, Li and Ni sitting at octahedra tend to mix, resulting in reduced electrochemical activity, which has been one major obstacle to their practical applications. Herein, we investigate the kinetic and thermodynamic aspects of Li/Ni mixing in LiNi0.7MnxCo0.3–xO2 (0 ≤ x ≤ 0.3) as they are synthesized, through quantitative determination of structural ordering and comparison to ab initio calculations. Results from this study elucidate the role of Co/Mn-substitution in tuning Li/Ni ordering, intrinsically through local magnetic interaction. Specifically, Co substitution facilitates Li/Ni ordering by relieving the intra-plane magnetic frustration and reducing the inter-plane super-exchange (SE) interaction; in contrast, Mn exacerbates magnetic frustration and strengthens SE, thereby agg...

The content you want is available to Zendy users.

Already have an account? Click here to sign in.

Having issues? You can contact us here

Accelerating Research