Table 10 Reaction pathway prediction.

From: An integrated AI-driven framework for maximizing the efficiency of heterostructured nanomaterials in photocatalytic hydrogen production

Synthesis conditions

Predicted intermediate state

Predicted final state

Experimental final state

Error (%)

Temp: 750 K, 1:1.5 ratio

ZnO-TiO2 (mixed phase)

ZnTiO3

ZnTiO3

1.2

Temp: 700 K, 1.2:1 ratio

ZnO-TiO2 (segregated)

ZnTiO3

Zn1.5{1.5}1.5TiO3

0.9

Temp: 725 K, 1.3:1 ratio

ZnO-TiO2 (mixed phase)

ZnTiO3

ZnTiO3

0.8