226
G.-R. Xu
Fig. 2 a Schematic of the problem before ion separation at 50 MPa, b Ion separation at 50 MPa after
10 ns MD simulation, c Ion rejection versus pressure using Zeolite MFI nanosheet, and d Separation
process at different times and pressures using MFI zeolite. Figures are reproduced with permissions
from (Ref. 55)
located on top of X atom and the other was located on top of M. For model C, two
OH groups were on top of X atom. Three modes exhibited different stabilities with
varying transition metal ions and C/N compositions. Except Zr2C, Nb2N, Hf2C,
TaC, and Ta2N; model A was energetically most stable. For Zr2C and Hf2C, model
B is more suitable. For Nb2N, Ta2C, and Ta2N, model C was most stable. Pb could
be adsorbed onto MXenes by replacing H atoms [60]. In this research, Pb could also
bond with O atoms but was restrained by the adjacent OH groups (Fig. 3d and e).
Changing M sites induced small difference for the three modes. Types of M played
G.-R. Xu
Fig. 2 a Schematic of the problem before ion separation at 50 MPa, b Ion separation at 50 MPa after
10 ns MD simulation, c Ion rejection versus pressure using Zeolite MFI nanosheet, and d Separation
process at different times and pressures using MFI zeolite. Figures are reproduced with permissions
from (Ref. 55)
located on top of X atom and the other was located on top of M. For model C, two
OH groups were on top of X atom. Three modes exhibited different stabilities with
varying transition metal ions and C/N compositions. Except Zr2C, Nb2N, Hf2C,
TaC, and Ta2N; model A was energetically most stable. For Zr2C and Hf2C, model
B is more suitable. For Nb2N, Ta2C, and Ta2N, model C was most stable. Pb could
be adsorbed onto MXenes by replacing H atoms [60]. In this research, Pb could also
bond with O atoms but was restrained by the adjacent OH groups (Fig. 3d and e).
Changing M sites induced small difference for the three modes. Types of M played