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[en] The effect of lithium adsorption on the phase transition from 1H-MoS_2 to 1T-MoS_2 is studied by first-principles computations. The results indicate the possibilities of the phase transition for the lithium adsorption. Based on the results of charge density difference and charge-transfer of molybdenum disulfide with lithium adsorption, we elucidated that the mechanism of the changes of electronic property accompanying the phase transition is attributed to the electron transfer of different atoms. According to the result of transition state, it can be found that the phase-transition barrier is related to the coverage of lithium atoms on MoS_2 surface. It may be helpful to obtaining experimentally the stable 1T-MoS_2 structure. - Highlights: • The transformation of MoS_2 from semiconducting to metallic phases is elucidated on the essence of the electron transfer. • The relationship between Li coverage and phase transition barrier is obtained. • The decomposing of Lithiated 1T-MoS_2 at a high concentration of Li adsorption is explained. • The results can be helpful to obtaining experimentally the stable 1T-MoS_2 structure.