Table 4 Crystal size (D), lattice strain (\({\xi }\)), dislocation density (δ), and stacking fault probability (α) parameters calculated for all prepared samples from XRD data.

From: Nd-doped CuO/ZnO and ZnO/CuO heterojunctions for simultaneous UV blocking and malachite green detoxification

Crystalline parameters

CuO(Nd)/ZnO

ZnO(Nd)/CuO

CuO

ZnO

ZnO

CuO

Crystal size (nm)

13.30

16.02

15.19

14.89

Lattice strain ×10−4

10.161

7.789

8.208

9.091

Dislocation density(nm−2) ×10−4

56.562

38.983

43.344

45.112

Stacking faults

−0.0535

−0.00003

0.0011

0.0004

  1. In CuO(Nd)/ZnO, the CuO core showed smaller crystallites (13.30 nm) and higher strain (1.016 × 10⁻³) compared with its ZnO shell (16.02 nm, 7.789 × 10⁻⁴), reflecting Nd-induced lattice distortion (Table 4). Conversely, in ZnO(Nd)/CuO, the ZnO core (15.19 nm, 8.208 × 10⁻⁴) was slightly more strained than its CuO shell (14.89 nm, 9.091 × 10⁻⁴), highlighting shell-growth effects on defect formation. Dislocation densities (δ) were higher in cores (CuO: 5.656 × 10⁻³ nm⁻²; ZnO: 4.334 × 10⁻³ nm⁻²) than in shells, suggesting cores accommodate greater defect concentrations. Both negative and positive values of stacking fault parameters indicate lattice deformation. Stacking faults were negligible in ZnO but detectable in CuO (α = − 0.0535 to 0.0004)55,56. These findings underscore how Nd doping and core/shell ordering dictate microstructural integrity57,58,59.
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