Electrochemically Driven Phase Transition in LiCoO2 Cathode
Abstract
:1. Introduction
2. Experimental Procedure and Computational Method
2.1. Samples Preparation
2.2. Characterization
2.3. Density Functional Theory Calculations
3. Results and Discussion
3.1. Microstructure Characterization
3.2. Modeling and Density Functional Theory Calculations:
3.3. Experimental Verification
4. Conclusions
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
References
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Doping Ion | Ion Radius (Å) | Effect | Theoretical Prediction | Experimental Results | Literature Results |
---|---|---|---|---|---|
Al3+ | 0.50 | Inhibit lattice expansion | Improved | Better | Better [37,38] |
In3+ | 0.81 | Promote lattice expansion | Deteriorated | Worse | - |
Mg2+ | 0.72 | Inhibit oxidation | Improved | Better | Better [20] |
Zr4+ | 0.72 | Promote oxidation | Deteriorated | Worse | Worse [39] |
Co3+ (Reference) | 0.745 | Reference |
Doped Element | Lattice a (Å) | Δa | Lattice c | Δc (Å) |
---|---|---|---|---|
Al | 2.8147(4) | −0.051% | 14.0458(5) | −0.042% |
In | 2.8169(7) | 0.028% | 14.0569(3) | 0.037% |
Mg | 2.8160(4) | −0.005% | 14.0535(9) | 0.013% |
Zr | 2.8159(6) | −0.005% | 14.0493(5) | −0.018% |
undoped (Reference) | 2.8161(8) | - | 14.0517(8) | - |
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Tan, J.; Wang, Z.; Li, G.; Hu, H.; Li, J.; Han, R.; Zhang, D. Electrochemically Driven Phase Transition in LiCoO2 Cathode. Materials 2021, 14, 242. https://doi.org/10.3390/ma14020242
Tan J, Wang Z, Li G, Hu H, Li J, Han R, Zhang D. Electrochemically Driven Phase Transition in LiCoO2 Cathode. Materials. 2021; 14(2):242. https://doi.org/10.3390/ma14020242
Chicago/Turabian StyleTan, Jinhui, Zhongzui Wang, Guangzhao Li, Huicong Hu, Jie Li, Rui Han, and Dongyan Zhang. 2021. "Electrochemically Driven Phase Transition in LiCoO2 Cathode" Materials 14, no. 2: 242. https://doi.org/10.3390/ma14020242