A Combined Experimental and First-Principle Calculation (DFT Study) for In Situ Polymer Inclusion Membrane-Assisted Growth of Metal-Organic Frameworks (MOFs)

Table 3

Atomic orbitals as employed in the present band structure computation of Zif-8.

Element	Core electrons	Semi-core electrons	Valence electrons
Zn	1s^22s^22p^6	3s^23p^6	4s^23d^10
N	1s^2	2s^2	2p^3
C	1s^2	2s^2	2p^2
H	—	—	1s^1