Revealing the superlative electrochemical properties of o-B2N2 monolayer in Lithium/Sodium-ion batteries

• DOI: 10.1016/j.nanoen.2022.107066
• Publication Date: 2022-02-25T17:05:46Z
• Authors: Nabil Khossossi; Wei Luo; Zakaryae Haman; Deobrat Singh; Ismail Essaoudi; Abdelmajid Ainane; Rajeev Ahuja
• Keywords: Superlative

Promising flexible electrochemical energy storage systems (EESSs) are currently drawing considerable attention for their tremendous prospective end-use in portable self-powered electronic devices, including roll-up displays, and "smart" garments outfitted with piezoelectric patches to harvest from body movement. However, the lack of suitable battery electrodes that provides a specific performance has made further development these technologies challenging. Two-dimensional (2D) lightweight materials outstanding physical chemical properties, mechanical strengths, hydrophilic surfaces, high surface metal diffusivity, good conductivity, have been identified as potential prospect electrodes. In this study, taking new 2D boron nitride allotrope, namely orthorhombic diboron dinitride monolayer (o-B2N2) representatives, we systematically explored several influencing factors, electronic, mechanical, properties (e.g., binding strength, ionic mobility, equilibrium voltage, theoretical capacity). Considering charge-transfer polarization, employed charged electrode model simulate mobility found unique dependence on atomic configuration influenced by bond length, valence electron number, electrical excellent low voltage stability, flexibility, extremely superior capacity, up 8.7 times higher than widely commercialized graphite (3239.74 mAh g−1 Vs 372 g−1) case Li-ion batteries 2159.83 Na-ion batteries, indicating predicted o-B2N2 possess capability be ideal anode Lithium Sodium-ion battery. Our finding valuable insights experimental explorations candidates based monolayer.