Table 3. Mulliken Charge Population of Different Interlayer Anion NiAl-A-LDH Model Systems.
| Ni3Al-A-LDHs | Q(A)/e | Q(Layer)/e |
|---|---|---|
| Ni3Al-LDHs | 4.00 | |
| Ni3Al-OH-LDHs | –2.44 | 1.88 |
| Ni3Al-Cl-LDHs | –2.84 | 2.72 |
| Ni3Al-Br-LDHs | –2.32 | 2.12 |
| Ni3Al-I-LDHs | –2.16 | 2.12 |
| Ni3Al-NO3-LDHs | –3.00 | 3.24 |
| Ni3Al-HCOO-LDHs | –3.24 | 3.68 |
| Ni3Al-CO3-LDHs | –2.96 | 1.58 |
| Ni3Al-SO4-LDHs | –2.86 | 2.34 |
| Ni3Al-C6H5SO3-LDHs | –2.44 | 2.92 |
| Ni3Al-C12H25SO3-LDHs | –3.84 | 2.60 |