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. 2022 Apr 11;61(24):e202204256. doi: 10.1002/anie.202204256

Figure 4.

Figure 4

Calculated water dissociation energy and dissociation path on gCN−OH. a)–c) BDEH‐O of water in gas phase, on pristine gCN, and on gCN−OH. d) Reaction coordinates of water dissociation into free hydrogen atom and H2O2 on gCN−OH. Grey: C, blue: N, white: H, red: O.