Fig. 5: Evaluation of reaction pathway.
From: Near-infrared photon-triggered CH4-to-CH3OH conversion over plasmonic oxyselenides
a–d Illustration of oxygen adsorption and reduction configurations at the CuII-Ov active sites in CuSeO3-x (Blue spheres represent Cu atoms; green spheres represent Se atoms; red spheres represent O atoms; white spheres represent H atoms). All geometry-optimized computational models and corresponding atomic coordinates originate from the file Supplementary Data 1. e Comparison of the calculated energy profiles on the surface of CuSeO3-x and CuSeO3 for O2 adsorption and activiation. f In situ DRIFTS spectra for Au/CuSeO2.82 during the photocatalytic methane oxidation reaction. Source data for e, f are provided as a Source Data file.
