Table 2 PEO/CuO/G calculated physical, reactivity and stability parameters using DFT:B3LYP/6–31(d,p).

From: Theoretical and experimental investigation of a CuO and graphene embedded polyethylene oxide counter electrode for efficient DSSCs

Parameters

PEO/CuO/G

TDM

18.794

∆E

0.257

EHOMO

-4.885

ELUMO

-4.629

IP =−EHOMO

4.885

EA =−ELUMO

4.629

χ = (IP + EA)/2

4.757

η = (IP−EA)/2

0.128

σ = 1/ η

7.794

ω = μ2/2η

88.188

ε = 1/ ω

0.011

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