Fig. 1: The structure evolution of Ni NPs on varied supports at 590 °C in AIMD simulations. | Nature Communications

Fig. 1: The structure evolution of Ni NPs on varied supports at 590 °C in AIMD simulations.

From: Reversing sintering effect of Ni particles on γ-Mo2N via strong metal support interaction

Fig. 1

The structure evolution of a Ni19 on γ-Mo2N(111) support, b Ni19O19 on passivated γ-Mo2N (O-Mo2N(111)), c Ni19 on CeO2 support, d the relative interface area of Ni to surface atom of support as a function to time, Ni19/γ-Mo2N(111), Ni19/CeO2(111) and Ni19O19/γ-Mo2N(111) listed, the initial interface area of the models were taken as bench mark “1”. e the relative free energy change in the redispersion process of Ni19/γ-Mo2N(111) and Ni19/CeO2(111) in 30 ps. In this figure, the red, green, pink, light blue and golden atoms are O, Ni, Mo, N and Ce respectively.

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