Table 3 B3LYP/LANL2DZ calculated TDM as Debye and ∆E as eV for the PLA/GO/Cu2O interacting with different gases.

From: Application of PLA/GO/ZnO and PLA/GO/Cu2O as sensor

Structure

TDM (Debye)

∆E (eV)

PLA/GO/Cu2O

5.000

1.152

PLA/GO/Cu2O/CH4

4.873

0.646

PLA/GO/Cu2O/H2S

5.173

0.557

PLA/GO/Cu2O/H2O

6.293

0.554

PLA/GO/Cu2O/CO2

10.650

1.038

PLA/GO/Cu2O/C2H5OH

7.241

0.652

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