fig2

Recent advances in the interface structure prediction for heteromaterial systems

Figure 2. (A) Surface structures of rutile TiO2(110) and rock-salt TiN(100); (B) The relaxed interface structure of TiO2(110)//TiN(100). Colors in the figures: Grey balls are Ti; red balls are O; blue balls are N. Reproduced with permission[53]. Copyright 2017, American Chemical Society.

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