Table 1.

Optimized geometries, lattice constants, representative B-H bond lengths, and formation energies of the B-doped porous graphene (PG) system. Note: Gray, white and pink balls represent C, H and B atoms, respectively.

	1B/PG	2B/PG	3B/PG	4B/PG	5B/PG	6B/PG
Top View
a (Å)	7.57	7.62	7.72	7.79	7.88	7.95
${\mathit{d}}_{\mathit{B}\mathbf{-}\mathit{H}}$ (Å)	1.19	1.19	1.20	1.19	1.20	1.21
${\mathit{E}}_{\mathit{f}}$ (meV/atom)	121.30	168.03	247.61	291.03	377.73	440.99