Figure ) depicts the fully relaxed structures of qHP's of C 60 , C 58 B 1 N 1 , and C 54 B 3 N 3 . During optimization, atomic positions and cell parameters were relaxed using the vc-relax module of QE. The calculated lattice parameters "a" and "b" for (a) qHP C 60 , and (b) qHP C 58 B 1 N 1 , and c) qHP C 54 B 3 N 3 along the x-axis (y-axis) were determined to be 15.87 Å (9.14 Å), 15.87 Å (9.14 Å), and 15.84 Å (9.14 Å), respectively. With a B-N pair mimicking a C-C bond regarding electron count, the overall cell volume remains consistent with C 60 following B-N doping. The thermodynamic and structural stability of the three proposed nanosheets were evaluated by computing their formation and cohesive energies. The formation energy (E f or ) is determined using Equation 1, while the cohesive energy (E coh ) can be calculated using Equation .