The adsorption energies Eads bond lengths bond angles and
2(a–c), the mode labels of 2(d–f) corresponds to the adsorption mode in Fig. 2(d–f) and the mode labels of 2(g–i) corresponds to the adsorption mode in Fig. 2(g–i).Figure optionsDownload full-size imageDownload as PowerPoint slide
The optimized configurations of isolated CO2 adsorbed on surface are shown in Fig. 2(j–l). Fig. 2(l) shows that VX-702 the adsorbed CO2 has a linear structure, and its corresponding the distance of C to the closest surface Zn is 3.407 Å.