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Research illustrates vibrational spectra correlation in nickel catalysts, suggesting improved catalytic understanding.
The Front Cover illustrates the integration of density functional theory (DFT) and operando infrared spectroscopy in catalytic C1 chemistry over nickel metal nanoparticles. A systematic framework for scaling the computed vibrational frequencies of key intermediates across structurally distinct surfaces supports spectral assignment and comparison with experiment. Further details are provided in the Research Article by B. M. Weckhuysen and co-workers (DOI: 10.1002/ceur.202500338). Artwork by Dr. Ellen B. Sterk.
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Sterk et al. (2026) studied this question.
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