Enhancing lithium storage performance with silicon-based anodes: a theoretical study on transition metal-integrated SiOx/M@C (M = Fe, Co, Ni) heterostructures

/Fe@C electrode shows superior high-rate discharge capability and excellent cycling performance through electrochemical measurements. Additionally, the study delves into the intrinsic mechanisms through charge density differences and Fermi level calculations, providing valuable insights into the importance of hybrid strategies for incorporating inert metals into anode materials for lithium-ion batteries.