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Showing 1–4 of 4 results
Advanced filters: Author: Matteo Jugovac Clear advanced filters
  • The shape and energy of frontier orbitals determine the reactivity of molecular systems. Combining orbital tomography based on photoelectron spectroscopy with electron diffraction and DFT, the authors investigate a complex multi-configurational adsorbate system revealing adsorptions geometries and hierarchy and geometry of molecular orbitals.

    • Pavel Kliuiev
    • Giovanni Zamborlini
    • Luca Castiglioni
    ResearchOpen Access
    Nature Communications
    Volume: 10, P: 1-6
  • When a molecule interacts chemically with a metal, its orbitals hybridise with metal states to form the new eigenstates of the coupled system. Here, the authors show that in addition to overlap in real space and energy, hybridizing states must fulfil a momentum-matching condition.

    • Xiaosheng Yang
    • Matteo Jugovac
    • F. Stefan Tautz
    ResearchOpen Access
    Nature Communications
    Volume: 13, P: 1-9
  • Charge transfer at molecule-metal interfaces affects the overall physical and magnetic properties of organic-based devices, and ultimately their performance. Here, the authors report evidence of a pronounced charge transfer involving nickel tetraphenyl porphyrin molecules adsorbed on copper.

    • Giovanni Zamborlini
    • Daniel Lüftner
    • Claus Michael Schneider
    ResearchOpen Access
    Nature Communications
    Volume: 8, P: 1-8