2D abrupt nano-junctions blending sp-sp2 bonds on atomically precise heterostructures

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Authors: Alice Cartoceti, Simona Achilli, M. Alihosseini, Adriana E. Candia, Enrico Beltrami, Paolo D’Agosta, Alessio Orbelli Biroli, Francesco Sedona, Andrea Li Bassi, Jorge Lobo‐Checa, Carlo S. Casari
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Abstract

Two-dimensional heterostructures combining sp-sp2 hybridization,blending graphene with graphyne-based allotropes, offer substantial potential for enhancing the tunability of electronic and transport properties while providing significant structural flexibility. These attributes are desirable for next generation nanoscale electronic applications. Despite such potential, their experimental realization remains elusive, as synthesized carbon heterostructures are limited to doped, graphene-based systems exhibiting exclusively sp2 hybridization. Here, we demonstrate the on-surface synthesis of covalently bonded sp-sp2 lateral heterostructures between graphene nanoribbons and graphdiyne networks on Au(111). Atomic-resolution scanning tunnelling microscopy, combined with density functional theory, reveals the formation mechanism of the covalent interfacial bonds between nanoribbons and graphdiynes, also highlighting the key role of surface chemistry. Bromine atoms deriving from the molecules dehalogenation and chemisorbed along the nanoribbon inhibit the junction formation, but bonding efficiency can be boosted up to 71% by controlled removal of these by-products. Electronic structure and transport calculations show that the 2D heterostructure by itself is characterized by disentangled properties for the two subsystems, forming an atomically narrow junction enabling voltage-tunable spatial current separation in two dimensions. There results define a viable strategy for engineering graphene-based sp-sp2 heterostructures, paving the way for the design and synthesis of all-carbon nanoscale electronic architectures.

Fields of Study & Subjects

Graphene research and applications Surface Chemistry and Catalysis Molecular Junctions and Nanostructures

Publication details

Journal / source
arXiv (Cornell University)
Publication date
27 January 2026
Document type
Preprint