Table 3.

Adsorption energy (E) and hydrogen adsorption capacity of Ca/Li‐decorated borophene

Metal	Structure	E [eV/H2]	Capacity [wt%]	Ref.
Ca	α‐sheet	0.19	12.68	[ 206 ]
	β 12 sheet	≈0.2	8.92	[ 205 ]
		0.24	9.5	[ 202 ]
	χ 3	0.23	7.2	[ 202 ]
Li	α‐sheet	0.15	10.75	[ 209 ]
	β 12 sheet	0.22	10.85	[ 208 ]
	χ 3	0.39	10.79	[ 266 ]
	Borophene (η = 1/7)	0.35	9.22	[ 267 ]
	Borophene (η = 1/8)	0.23	15.26	[ 204 ]