Fig. 1
From: Penta-Graphene as a Potential Gas Sensor for NOx Detection
Adsorption configurations. a–d Side view (top) and top view (bottom) of the fully relaxed structural models of penta-graphene (PG) with CO, CO2, NH3 and NO adsorption, respectively. The last one (e) is the side view of the two bonding modes when NO2 is adsorbed, the binding energy (Ea) has been given. The distance between the gas molecule and the penta-graphene layer is indicated in a and the bond lengths between C and N (d, e) and C and O (e) at the interface are given (in angstrom units). For simplicity, these structural models are abbreviated as a PG/CO, b PG/CO2, c PG/NH3, d PG/NO and e PG/NO2