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Support effects on conical intersections of Jahn–Teller fluxional metal clusters on the sub-nanoscale

2024/01/01 by Katarzyna M. Krupka, María Pilar de Lara‐Castells · 1 voice · 3 citations
Physics and Astronomy · Materials Science · Earth and Planetary Sciences · #Advanced Chemical Physics Studies #Graphene research and applications #nanoparticles nucleation surface interactions

paper · pdf · doi:10.1039/d4cp03271c

Abstract

), being energetically closer to the CI. The transition dipole moment between ground and excited states has a significant magnitude, suggesting that the excited state can be observed through direct photo-excitation from the ground state. Besides demonstrating that the identity of an isolated Jahn-Teller metal cluster can be preserved against support effects at a physisorption state and lifted out at a chemisorption state, our results indicate that a correlation exists between conical intersection topography and fluxionality in the metal cluster's Cu-Cu motifs.

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