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Modulating the bonding properties of Li2MoO3 via non-equivalent cationic doping to enhance its stability and electrochemical performance for lithium-ion battery application.
- Source :
-
Ceramics International . Jul2021, Vol. 47 Issue 13, p18304-18313. 10p. - Publication Year :
- 2021
-
Abstract
- Li 2 MoO 3 (LMO) is a promising stabilization block for constructing high performance lithium-rich layered oxides. However, its poor electronic conductivity, surface instability in air, and capacity degradation are drawbacks for the application. To solve these issues, non-equivalent Nb5+ dopants were introduced into the LMO lattice. Density functional theory (DFT) calculations combined with experimental characterizations have confirmed that Nb5+ doping not only enhances the Mo–O bonds of LMO but also reduces its band gap and further suppresses the oxidation of surface Mo4+, leading to a much-improved lattice and surface stabilities. Therefore, the electrochemical performances of LMNO are improved obviously. The initial discharge capacities of LMO, LMNO-0.01, LMNO-0.02, and LMNO-0.03 are 232.6, 234.7, 251.6, and 246.3 mAh·g−1, respectively. LMNO-0.02 exhibits the best performance, and its specific capacities at the 1st and 100th cycles reach 144.13 and 72.06 mA g−1 under a 3C charging rate and a 5C discharging rate. Our results have demonstrated that non-equivalent cationic doping is an effective strategy to modulate the bonding characteristics of LMO and therefore to improve its electrochemical performance. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 02728842
- Volume :
- 47
- Issue :
- 13
- Database :
- Academic Search Index
- Journal :
- Ceramics International
- Publication Type :
- Academic Journal
- Accession number :
- 150467931
- Full Text :
- https://doi.org/10.1016/j.ceramint.2021.03.151