Surface dependent organometallic to covalent transition in graphdiyne molecular wires
Year: 2025
Type: article
Abstract: monitoring of the thermally activated transition from organometallic to covalent organic wires (OMW-to-COW), resulting in the assignment of specific Raman features to both phases supported, by density functional theory calculations. We demonstrate that surface orientation affects the Ullmann coupling efficiency, resulting in a lower OMW-to-COW transition temperature on Au(100) than on Au(111). These findings provide new insights into the temperature-dependent structural dynamics of graphdiyne molecular wires, enabling the development of more efficient on-surface synthesis processes and the design of novel functional carbon nanostructures for new-generation optoelectronic devices.
Source: Nanoscale
DOI: 10.1039/d5nr01968k
Language: English
Subfield: Biomedical Engineering
Field: Engineering
Domain: Physical Sciences
Open Access status: hybrid
Funders: Dipartimenti di Eccellenza, Royal Society, European Commission, Deutsche Forschungsgemeinschaft, Università degli Studi di Pavia, Politecnico di Milano, Ministero dell'Università e della Ricerca, Instituto Nazionale di Fisica Nucleare, HORIZON EUROPE European Research Council, NextGenerationEU
OpenAlex ID: W4416732040