DFT Study of Cs/Sr/Ag Adsorption on Defective Matrix Graphite

Table 1

Adsorption energies (E_ads) for perfect and defective matrix graphite (unit: eV).

Structures	Cs		Sr		Ag
	Eads	Z	Eads	Z	Eads	Z
Perfect matrix graphite	−1.88	2.59	−1.46	2.27	−0.27	2.87
“Bridge” interstitial defect	−2.50	2.32	−2.33	1.82	−0.39	2.22
“Spiro” interstitial defect	−2.25	2.21	−2.13	1.83	−0.40	2.48
Single vacancy defect	−2.83	2.52	−3.37	2.01	−2.37	1.68

Z: the vertical distance between metal atoms and matrix graphite surface; unit is Å.