Skip to main content

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

Structure

ΔE

a [Å]

Model 1

0.000

3.082

Model 2

2.420

3.203

Model 3

0.514

3.054

Model 4

1.069

3.028

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
Back to article page

Journal of Nanobiotechnology

ISSN: 1477-3155

Contact us