Journal
ACS APPLIED MATERIALS & INTERFACES
Volume 11, Issue 27, Pages 24648-24658Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acsami.9b01418
Keywords
lithium-ion batteries; electrode-collector; lithiation; Co doping interfacial strength; first-principles study
Funding
- National Natural Science Foundation of China [11872054, 11702234, 11602213]
- China Scholarship Council
- Australian Government
- Government of Western Australia
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The Co doping effects on the interfacial strength of Sn electrode-collector interface for lithium-ion batteries are investigated by using first-principles calculations. The results demonstrate that by forming strong chemical bonds with interfacial Sn, Li, and Cu atoms, Co doping in the interface region can enhance interfacial strengths and stabilities during lithiation. With doping, the highest strengths of Sn/Cu (1.74 J m(-2)) and LiSn/Cu (1.73 J m(-2)) interfaces are 9.4 and 17.7% higher than those of the corresponding interface systems before doping. Besides, Co doping can reduce interface charge accumulation and offset the decreasing interfacial strength during lithiation. Furthermore, the interfacial strength and electronic stability increase with rising Co content, whereas the increasing formation heat may result in thermodynamic instability. On the basis of the change of formation heat with Co content, an optimal Co doping content has been provided.
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