Fig. 1From: First-principles investigation of adsorption behaviors of small molecules on penta-grapheneStructure and geometry of PG: a 3 × 3 supercell, b front view of unit cell, and c side view of the adsorbate-PG atoms. The distance between two C2 atoms, the distance between C1 and C2 atoms, the thickness of PG, and the C2-C1-C2 angel are defined as l1, l2, d1, and θ, respectivelyBack to article page