fig7

Reaction-anchored generative informatics for million-scale CO<sub>2</sub> catalyst screening via multi-adsorbate constraints

Figure 7. Calculated activation barriers and representative structures for CO-CO coupling. (A) Activation barriers for Ga-Pt, Sc-Cu-Ga, Cu, and Al-Cu-Pd; (B) IS, TS, and FS structures for representative Ga-Pt and Al-Cu-Pd systems. IS: Initial-state; TS: transition-state; FS: final-state.

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