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Showing 1–3 of 3 results
Advanced filters: Author: Alexander V. Mironenko Clear advanced filters
  • Vibrational excitations are a fingerprint of molecule–surface interactions, but knowing how they scale across materials is tricky. Here, the authors discover correlations between the vibrational frequencies of adsorbates on transition metals, developing a predictive theory to allow interpretation of complex experimental spectra.

    • Joshua L. Lansford
    • Alexander V. Mironenko
    • Dionisios G. Vlachos
    ResearchOpen Access
    Nature Communications
    Volume: 8, P: 1-9
  • Metal oxides have been identified as a promising class of catalysts for carbon–oxygen bond cleavage in the context of biomass valorization, although the systematic understanding of their reactivity remains elusive. Now, a combination of catalytic screening and first principles calculations provide important insights into this family of catalysts.

    • Konstantinos A. Goulas
    • Alexander V. Mironenko
    • Dionisios G. Vlachos
    Research
    Nature Catalysis
    Volume: 2, P: 269-276