Table 4.

Adsorption energies of CR adsorption over adsorbent surfaces in vacuum.

CR adsorption	Total energy	Adsorption energy	Rigid adsorption energy	Deformation energy	dEad/dNi
ZnO	− 1.216669 × 103	− 1.638020 × 103	− 1.966356 × 103	328.33591862	− 1.638020 × 103
Co-doped ZnO	− 1.282828 × 103	− 1.704179 × 103	− 1.976240 × 103	272.06049359	− 1.704179 × 103
La-doped ZnO	− 631.15670196	− 1.052508 × 103	− 1.052508 × 103	− 1.170974 × 10− 11	− 1.052508 × 103
Ce-doped ZnO	− 1.289853 × 103	− 1.711205 × 103	− 1.861619 × 103	150.41406344	− 1.711205 × 103