Li+ intercalation current generation in amorphous and crystalline MoS2: Experiment and theory

In this work, crystalline and amorphous nano-MoS2 materials for effective Li+-intercalation current generation have been synthesized. The effect of disordering on the structural and electrochemical properties of nano-MoS2 has been systematically investigated by multiple characterizations: transmission electron microscopy (TEM), X-ray diffraction method and electrochemical measurements. Thermodynamic and kinetic peculiarities of intercalation processes have been studied. Dependences of the change in Gibbs’ free energy of the intercalation reaction on the extent of ‘guest’ lithium loading are analyzed. The distinctive feature of disordered structures is their ability to show colossal lithium ‘guest’ load, which ensures the specific capacity of the material in cathode processes up to ~2500 mAh·g–1 under the discharge not less than 2.6 V relative to lithium. The diffusion coefficient of lithium cations in the structure of disordered nano-MoS2 is two orders of magnitude higher than that in the crystalline MoS2.A quantum-mechanical model of the observed phenomena is suggested.