Fig. 7: Comparison of most promising bimetallic and trimetallic single-atom alloys. | Nature Communications

Fig. 7: Comparison of most promising bimetallic and trimetallic single-atom alloys.

From: Rational design of optimal bimetallic and trimetallic nickel-based single-atom alloys for bio-oil upgrading to hydrogen

Fig. 7

a surface energy, \(\gamma\) (J·m-2), b hydrogen adsorption energy, \({E}_{{{ads},}_{H}}\), and c carbon adsorption energy, \({E}_{{{ads},}_{C}}\). Inserted figures denote the optimized configurations. Color coding: Ni (Blue), M1 (Yellow), M2 (Pink), H (white), C (gray). Insets show the active sites and adsorbates simulated conformations for each system.

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