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Table 4 DFT simulates the adsorption mechanism of arsenic adsorbed on the surface of the different materials

From: Specifically designed amine functional group doped sludge biochar for inorganic and organic arsenic removal

No.

Material

Pollutant

Ref.

1

CaO

As (III)

[15]

2

Carbonaceous

As (III)

[16]

3

Fe-doped graphene

As (III)

[35]

4

MnO

As (III) and As(V)

[36]

5

ZnO

As (III) and As(V)

[37]

6

Nitrogen-doped carbon

As (III) and As(V)

[38]

7

TiO2 nanocrystals

As (III) and As(V)

[39]

8

Fe (II) and Fe (III) nanophases

As (III) and As(V)

[40]

9

α-Al2O3

As(V)

[41]

10

DETA-SBC

As (III)

This study

11

DETA-SBC

DMA

This study