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Table 1 Structural parameters of n-layers of Ti2NO2. Methods of computation: GGA + U(U = 5 eV, J = 1 eV), Grimme correction (DFT + D2)

From: Multilayered stable 2D nano-sheets of Ti2NTx MXene: synthesis, characterization, and anticancer activity

StructureΔEa [Å]
Model 10.0003.082
Model 22.4203.203
Model 30.5143.054
Model 41.0693.028
Model 5
Model 6
  1. In the case of Model 5 and 6, the structures disintegrated into smaller structures, thus, no values in the table are provided