CH2I2 adsorption and dissociation on Ag(1Â 1Â 1) surface using density functional theory study

The potential energy surfaces for iodine atom dissociation reaction of CH2I2 at different coverages indicate that CH2I2(a) on Ag(1 1 1) at low coverage is much more prone to dissociate and generate CH2(a) species than those at high coverage.