fig8

Recent advances in the interface structure prediction for heteromaterial systems

Figure 8. (A) Atomic structures of four ZnO/MAPbI3 interfaces. Colors in (A): red balls are O; silver balls are Zn; cyan balls are N; brown balls are C; purple balls are H; white balls are I, and gray balls are Pb. Reproduced with permission[93]. Copyright 2019, American Chemical Society; (B) Structures for three TiO2/GaP heterojunctions that can achieve the atomic-matched interface. Colors in (B): grey balls are Ti; red balls are O; brown balls are Ga; purple balls are P. The green dashed lines represent the interfacial planes. Reproduced with permission[12]. Copyright 2019, American Chemical Society.

Journal of Materials Informatics
ISSN 2770-372X (Online)
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