Regensburg 2025 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 98: Metal and Semiconductor Substrates: Adsorption and Reactions of Small Molecules

O 98.7: Vortrag

Freitag, 21. März 2025, 12:00–12:15, H8

Enhancing the electronic-coupling and conductivity of monolayer film of ferrocenyl molecules by Pd and Cu doping — •Sunny M P Gautam, Himani Malik, Vikash Meghwal, Sruthi Manoharan, Vinithra Gurunarayanan, Ramesh Ramapanicker, and Thiruvancheril G Gopakumar — Department of Chemistry, Indian Institute of Technology Kanpur, India

Enhancing the conductivity and tuning the electronic structure of molecular films is crucial for their application in electronics. In this study, we explore the impact of metal doping (Pd and Cu) on the electronic structure and conductivity of two custom-designed ferrocenyl molecules, 3-ferrocenyl propanoic acid (FcC3) and 5-ferrocenyl pentadienoic acid (FcC5), on a graphite surface. Although the microscopic arrangement of the molecules within the film remains largely unchanged after doping, the incorporation of Pd and Cu at the 4-coordinated carboxyl dimer site of FcC3/FcC5 leads to a significant increase in conductivity. Electronic structure calculations of the FcC3/FcC5 dimers with metal show a substantial reduction in the HOMO-LUMO gap compared to their hydrogen-bonded counterparts, indicating stronger intermolecular electronic coupling through the Pd and Cu atoms, which lowers the barrier for electron/hole transport.

Keywords: molecular monolayer; electronic coupling; metal doping; atomic force microscopy; surface