Fig. 5 | Communications Chemistry

Fig. 5

From: Atomic structure observations and reaction dynamics simulations on triple phase boundaries in solid-oxide fuel cells

Fig. 5

Reaction dynamics simulations for triple phase boundary-1. a Hydrogen oxidation reaction (HOR)-I pathway. b HOR-II pathway. The trajectory of hydrogen (H) starts from the arrow, and the circle denotes the final position where OH species is formed after a simulation period of 700 ps. The local environment near the formed OH species is presented in the magnified image, which is linked to the circle by dotted lines. c HOR-III pathway. A trajectory of oxygen (O) starts from the arrow, and the circle denotes the final position where OH species is formed after a simulation period of 700 ps. The local environment near the formed OH species is presented in the magnified image, which is linked to the circle by dotted lines. Trajectories are shown along the Ni[1\(\bar 1\)0] and YSZ[001] directions

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