Data di Pubblicazione:
2018
Citazione:
Spectroscopy of Adsorbates and the Role of Interfacial Interactions / G. Fratesi, E. Molteni, G. Onida - In: Toward a Science Campus in Milan : A Snapshot of Current Research at the Physics Department Aldo Pontremoli / [a cura di] P. Bortignon, G. Lodato, E. Meroni, M.G.A. Paris, L. Perini, A. Vicini. - [s.l] : Springer, 2018 Dec 08. - ISBN 9783030016289. - pp. 91-104 (( convegno CDIP tenutosi a Milano nel 2017 [10.1007/978-3-030-01629-6_9].
Abstract:
We present two test cases showing how electronic and optical spectroscopy techniques and their theoretical understanding by first principles can provide information on the strength of the adsorbate-substrate electronic interaction at interfaces. Results of electronic band structure calculations for two-dimensional silicon sheets (“silicene”) grown on silver are shown, pointing out that the interaction with the metal substrate is strong enough as to disrupt many of the exceptional properties computed for the free-standing material, or to mitigate the differences between various two-dimensional allotropes. The optical properties of silicon surface functionalized by nucleobase molecules are then discussed. Calculations predict that chemical sensitivity of spectra to molecular modifications can be overwhelmed by variations in the substrate response as induced by the adsorbates.
Tipologia IRIS:
03 - Contributo in volume
Keywords:
Adsorption; Spectroscopy; First-principle simulations; DFT; Silicene Si surfaces
Elenco autori:
G. Fratesi, E. Molteni, G. Onida
Link alla scheda completa:
Titolo del libro:
Toward a Science Campus in Milan : A Snapshot of Current Research at the Physics Department Aldo Pontremoli