Exploring adsorption mechanism of glyphosate on pristine and elemental doped graphene

Cu-, O- and Pd-doped graphenes are preferred candidates for glyphosate adsorbents. • Ca-, O-, and Pd-doped graphene are favourable than the Ti-, V-, Cr-, B-, N-, Pt-, and Cu-doped. • All the dopants can be an enhancer for the glyphosate adsorption, the phosphate group of glyphosate is the most active group. • The electronegativity of the dopants plays the important role in the glyphosate capture ability. • Cu-, O- and Pd-graphene are regarded to...