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. 2022 Oct 21;7(43):39169–39180. doi: 10.1021/acsomega.2c05067

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