What is the physical meaning of increasing or decreasing the formation energy with the number of doped N atom in graphene?? And how do we relate this with the increasing of more active sites with the number of doped N atoms??
The answer lies in the definitions of energy of formation [1], and the enthalpy of formation [2].
[1] https://en.wikipedia.org/wiki/Standard_Gibbs_free_energy_of_formation
[2] https://en.wikipedia.org/wiki/Standard_enthalpy_of_formation
Dear Natei
The formation energy of a configuration is the energy required (or released) for generating that configuration. Accordingly, the formation of a structure can be endothermic and exothermic. Based on [1], the more negative the formation energy of a sheet, the more stable the structure of the sheet. So, it kine of indicates the energetic (thermal) stability of a sheet.
[1] Xu, Y., Wang, N., Guo, X. and Huang, S., 2019. Effects of the coordination number on H2O dissociation reaction on the surface of Zr5nO10n (n= 4–9) nanoparticles: A DFT approach. International Journal of Hydrogen Energy, 44(59), pp.31029-31040.
Energy concepts are universal and direct. The more the energy less is stability. The disturbance in continuity adds to the sites prone to changes!
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