fig5

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

Figure 5. Material-level organization of candidate composition space. (A) Binary composition hit-fraction matrix showing localized enrichment of element pairs under the joint *OCH2CH3/*CO/*H adsorption-energy constraints; (B) Pseudo-ternary map of ternary candidate systems, where point categories denote the number of satisfied adsorption-energy criteria and, for candidates satisfying all three criteria, the continuous color scale represents the normalized distance to the target adsorption-energy region; (C) Major unary, binary, and ternary material-level candidates ranked by the number of positive structures; (D) Representative unary, binary, and ternary materials.

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