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O: Fachverband Oberflächenphysik
O 69: Nanostructures at Surfaces II
O 69.10: Vortrag
Mittwoch, 19. März 2025, 17:15–17:30, H25
An insight into the thermally activated organometallic-to-covalent transition in novel Graphdiyne Molecular Wires Frameworks — •Alice Cartoceti1, Simona Achilli2, Paolo D’Agosta1, Alessio Orbelli Biroli3, Guido Fratesi2, Valeria Russo1, Andrea Li Bassi1, and Carlo Spartaco Casari1 — 1Department of Energy, Politecnico di Milano, I-20133 Milano, Italy — 2Department of Physics, Università degli Studi di Milano, I-20133 Milano, Italy — 3Department of Chemistry, Università di Pavia, I-27100 Pavia, Italy
Graphdiynes (GDYs) are novel carbon allotropes with mixed sp-sp2 hybridization, characterized by tunable optoelectronic properties. This study investigates the temperature-dependent atomic-scale structure and vibrational properties of 1,4-bBEB-based GDY molecular wires frameworks synthesized via Ullmann coupling on Au(100) and Au(111) surfaces. Scanning Tunnelling Microscopy revealed the transition from ordered frameworks of densely packed and oriented 1D organometallic wires (OMF) at room temperature, to progressively more disordered covalent frameworks (COF) at high temperatures. Density Functional Theory calculations and in situ Raman spectroscopy measurements tracked the OMF-to-COF transition, assigning specific Raman features to both phases. Raman spectroscopy also revealed that surface orientation influences the wires-gold interaction, resulting in a lower temperature for the OMF-to-COF transition on Au(100) than on Au(111).
Keywords: Graphdiynes Molecular Wires (GDY MWs); On surface synthesis (OSS); Organometallic-to-covalent transition (OMF-to-COF); In situ Raman spectroscopy; Scanning tunnelling microscopy (STM)