Fig. 1: Prediction of catalyst properties by DFT and qualitative characterizations. | Nature Communications

Fig. 1: Prediction of catalyst properties by DFT and qualitative characterizations.

From: Circumventing bottlenecks in H2O2 photosynthesis over carbon nitride with iodine redox chemistry and electric field effects

Fig. 1: Prediction of catalyst properties by DFT and qualitative characterizations.The alternative text for this image may have been generated using AI.

a–d Optimized geometry structures. Density of states (e), surface work functions (f) of CN, CN-KI, CN-KI3, and CN-KI3-KI. g TEM images of CN, CN-KI, CN-KI3-KI, and CN-KI3-KI-MV. h SEM images of CN-KI3-KI-MV and corresponding elemental mapping. XPS spectra (i), FTIR spectra (j), ESR spectra (k), XRD patterns (l) Inset: Enlarged XRD patterns, C K-edge (m), and N K-edge (n) XANES spectra of CN, CN-KI, CN-KI3-KI, and CN-KI3-KI-MV.

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