Synergistically In Situ Synthesized Bi<sub>2</sub>O<sub>3</sub>@Ti<sub>3</sub>C<sub>2</sub> Nanocomposite Supported by Density Functional Theory Analysis for Next‐Generation Lithium‐Ion Batteries with High Electrochemical Performance
Tariq Bashir, Asif Hayat, Ehsan Ghasali, Tariq Ali, Atta Ur Rehman, Asad Ali, Saleem Raza, Yasin Orooji
Abstract
The emergence of high‐energy lithium‐ion batteries has raised an urgent need for crucial electrode materials, particularly for anode. Nevertheless, a significant obstacle hindering the actual application of these technologies is due to the occurrence of capacity degradation during cycles and subpar rate performance. A hydrothermal approach is used to easily synthesize bismuth oxide nanocomposite (Bi 2 O 3 @Ti 3 C 2 ) by establishing chemical bonding. Single‐crystal bismuth oxide (Bi 2 O 3 ) nanoparticles, averaging 80 nm in size, are evenly distributed at Ti 3 C 2 nanosheets surface. In comparison to agglomerated pristine Bi 2 O 3 nanoparticles, the composite nanostructure enhances porosity and electrical conductivity of the composite anode material. The electrochemical efficiency of the Bi 2 O 3 @Ti 3 C 2 nanocomposite material is remarkable, as evidenced by its initial cycling capacity of 704 mAh g −1 at 200 mA g −1 current density and a capacity retention of 598 mAh g −1 over 100 charge/discharge cycles. The high electrical conductivity of Ti 3 C 2 MXene nanosheets significantly improves the overall electrochemical properties of the Bi 2 O 3 @Ti 3 C 2 nanocomposite material. Density functional theory (DFT) calculations and X‐ray photoelectron spectroscopy (XPS) measurements have further confirmed that charge transfer to active Bi 2 O 3 nanoparticles is efficiently promoted within such composite material during lithiation/delithiation processes. The nanocomposite of Bi 2 O 3 @Ti 3 C 2 exhibits significant potential for electrochemical energy storage applications.