Exploring the experimental study and density functional theory calculations of symmetric and asymmetric chalcogen atoms interacted molybdenum dichalcogenides for lithium-ion batteries

Two-dimensional asymmetric chalcogen atoms attached to Janus nanoparticles have fascinated research attention owing to their distinctive properties and characteristics for various applications.This paper proposed a facile synthesis to produce efficient molybdenum-based symmetric and asymmetric chalcogens bounded by X Mo X and TeMo X nanostructures.Subsequently,the fabricated X Mo X and TeMo X nanostruc-tures were employed as anodes for lithiumion batteries(LIBs).Assembled LIBs using TeMoS and TeMoSe Janus anodes achieved 2610 and 2073 mAh g^(-1)reversible capacity at 0.1 A g^(-1),respectively for the halfcell configuration,which is outstanding performance compared with previous reports.Superior rate capability performances at 0.1-20 A g^(-1)and exceptional cycling solidity confirmed high charge and discharge capacities for TeMo X Janus lithium-ion battery anodes.In addition,the full cell device with TeMoS//LiCoO_(2)configuration explored the discharge capacity of 1605 mAh g^(-1)at 0.1 A g^(-1)which suggests their excellent electrochemical characteristics.The density functional theory approximations established the significance of assembled symmetric and asymmetric chalcogen atoms interacted with X Mo X and TeMo X anode materials for LIBs.Thus,the present investigation supports a new approach to creating two-dimensional materials based on asymmetric chalcogen atoms with core metal to effectively increase desirable energy storage characteristics.