Front Cover: Correlating Vibrational Spectra to C <sub>1</sub> Surface Species on Nickel‐Based Hydrogenation Catalysts Using Density Functional Theory (ChemistryEurope 5/2026)
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.
Authors
- Jaap N. Louwen (ORCID: https://orcid.org/0000-0001-5175-6973)
- Matteo Monai (ORCID: https://orcid.org/0000-0001-6945-4391)
- Bram T. Kappé
- Ellen B. Sterk
- Ivo A. W. Filot (ORCID: https://orcid.org/0000-0003-1403-8379)
- Eelco T. C. Vogt (ORCID: https://orcid.org/0000-0003-4556-4283)
- Bert M. Weckhuysen (ORCID: https://orcid.org/0000-0001-5245-1426)
Institutions
- Utrecht University (NL)
- Eindhoven University of Technology (NL)
Publication Details
- Journal
- ChemistryEurope
- Published
- 2026-05-01
- DOI
- https://doi.org/10.1002/ceur.70309
- Primary Topic
- Nanomaterials for catalytic reactions
- Type
- article
- Field-Weighted Citation Impact
- 0.00