Journal
CURRENT APPLIED PHYSICS
Volume 48, Issue -, Pages 1-10Publisher
ELSEVIER
DOI: 10.1016/j.cap.2023.01.002
Keywords
Inorganic cathode; Redox property; Doping; Crystal field theory; Materials design; Li-ion battery
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This study systematically explores the structural, electronic, and electrochemical properties of a series of transition metal-doped, Li-excessive, layered Li2NiO2 materials. The incorporation of Cr dopant with electronically suitable d orbitals is revealed to be the best choice to design high-voltage Li2NiO2 cathode materials with little sacrifice of energy density and structural stability. Further investigation highlights that the d-orbital based design of a proper dopant would be a key strategy to develop Li2NiO2-based cathode materials with high-performance battery applications.
Despite the importance of establishing a suitable doping strategy for high-potential Li2NiO2-based cathode materials, relevant studies are lacking to be explored. This study systematically explores the structural, elec-tronic, and electrochemical properties for a series of transition metal-doped, Li-excessive, layered Li2NiO2 ma-terials. The incorporation of Cr dopant with electronically suitable d orbitals is revealed to be the best choice to design high-voltage Li2NiO2 cathode materials with little sacrifice of energy density and structural stability. Further investigation highlights that the d-orbital based design of a proper dopant would be a key strategy to develop Li2NiO2-based cathode materials with high-performance battery applications.
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