An active MoS2 with Pt-doping and sulfur vacancy for strengthen CO2 adsorption and fast Capture: A DFT approach

•S vacancies as electrons transfer media breaks electrons transfer barriers between surface and CO2 molecules.•The enriched delocalized electrons and Pt atoms around S vacancies increase the number of active sites of CO2.•The adsorption energy of CO2 molecules in MoS2_1VS_1PtMo is −0.44 eV, which is 1.83 times higher than pristine MoS2.•MoS2_1VS_1PtMo can synergistically enhance the electron transport efficiency, exhibiting the effect of 1 + 1 > 2.