Fig. 5: DFT calculations. | Nature Communications

Fig. 5: DFT calculations.

From: Hydrogen-bonded organic framework@conductive metal-organic framework heterostructures for ampere-level hydrogen peroxide production

Fig. 5

a Calculated charge density difference of DAT-HOF@Co-HHTP heterostructure. b Calculated O2 adsorption energies at the Co, N1, and N2 site of DAT-HOF@Co-HHTP, respectively. c Free energy diagrams for ORR over Co-HHTP and DAT-HOF@Co-HHTP heterostructure. d Schematic diagram of the ORR pathways over DAT-HOF@Co-HHTP heterostructure. Source data for Fig. 5 are provided as a Source Data file.

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