Adsorption of radionuclides on the monolayer MoS₂

How to remove radionuclides from radioactive wastewater has long been a difficult problem, especially in nuclear accidents. In this paper, the adsorption of radionuclides Cs, Sr, and Ba on the monolayer MoS₂ was investigated by using the first principles calculation method. Through the calculation of adsorption energy and Hirshfeld charge of the radionuclides on the monolayer MoS₂ at six adsorption sites, the results show that all of the radionuclides chemisorbed on the monolayer MoS₂, and the adsorption strength of these three kinds of radionuclides on the monolayer MoS₂ is Ba > Sr > Cs. This work might shed some light on the treatment of the radioactive wastewater.