Structure ΔE, kcal/mol ΔE, K Interlayer distance, Å
Porphyrin/AGNR (O1) 0.15 75.5 3.72
Porphyrin/AGNR (O2) 0.00 0.00 3.77
Porphyrin/AGNR (O3) 0.33 166.1 3.72
Porphyrin/AGNR (O4) 0.28 140.9 3.77