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On-surface synthesis of singly and doubly porphyrin-capped graphene nanoribbon segments

Luis M. Mateo1,2, Qiang Sun3,4, Kristjan Eimre3, Carlo A. Pignedoli3*, Tomas Torres1,2,5, Roman Fasel3,6*, Giovanni Bottari1,2,5

1 Departamento de Química Orgánica, Universidad Autónoma de Madrid, 28049 Madrid, Spain

2 IMDEA-Nanociencia, Campus de Cantoblanco, 28049 Madrid, Spain

3 Nanotech@surfaces Laboratory, Empa – Swiss Federal Laboratories for Materials Science and Technology, 8600 Dübendorf, Switzerland

4 Materials Genome Institute, Shanghai University, 200444 Shanghai, China

5 Institute for Advanced Research in Chemical Sciences (IAdChem), Universidad Autónoma de Madrid, 28049 Madrid, Spain

6 Department of Chemistry and Biochemistry, University of Bern, 3012 Bern, Switzerland

* Corresponding authors emails: carlo.pignedoli@empa.ch, roman.fasel@empa.ch
DOI10.24435/materialscloud:6v-c9 [version v1]

Publication date: Jan 19, 2021

How to cite this record

Luis M. Mateo, Qiang Sun, Kristjan Eimre, Carlo A. Pignedoli, Tomas Torres, Roman Fasel, Giovanni Bottari, On-surface synthesis of singly and doubly porphyrin-capped graphene nanoribbon segments, Materials Cloud Archive 2021.9 (2021), doi: 10.24435/materialscloud:6v-c9.

Description

In this record we provide data to support our recent findings on the synthesis of porphyrin-capped graphene nanoribbons. On-surface synthesis has emerged as a powerful tool for the construction of large, planar, π-conjugated structures that are not accessible through standard solution chemistry. Among such solid-supported architectures, graphene nanoribbons (GNRs) hold a prime position for their implementation in nanoelectronics due to their manifold outstanding properties. Moreover, using appropriately designed molecular precursors, this approach allows the synthesis of functionalized GNRs, leading to nanostructured hybrids with superior physicochemical properties. Among the potential “partners” for GNRs, porphyrins (Pors) outstand due to their rich chemistry, robustness, and electronic richness, among others. However, the use of such π-conjugated macrocycles for the construction of GNR hybrids is challenging and examples are scarce. In a recent publication we report singly and doubly Por-capped GNR segments presenting a commensurate and triply-fused GNR–Por heterojunction. The study of the electronic properties of such hybrid structures by high-resolution scanning tunneling microscopy, scanning tunneling spectroscopy, and DFT calculations reveals a weak hybridization of the electronic states of the GNR segment and the Por moieties despite their high degree of conjugation.

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ReadMe.yaml
MD5md5:d64471f5cbb1b8dac7d6d2832de3982f
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calculations.aiida
MD5md5:21e24a368f2ce5f5d01fc68fa9ec68f3
60.6 MiB AiiDA archive file containing all nodes of the calculations

License

Files and data are licensed under the terms of the following license: Creative Commons Attribution 4.0 International.
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External references

Journal reference (Manuscript where the results are discussed)
L. M. Mateo, Q. Sun, K. Eimre, C. A. Pignedoli, T. Torres, R. Fasel, G. Bottari, Chem. Sci. 12, 247-252 (2021). doi:10.1039/D0SC04316H

Keywords

MARVEL/DD3 DFT on-surface synthesis SNF CSCS porphyrin graphene nanoribbons

Version history:

2021.9 (version v1) [This version] Jan 19, 2021 DOI10.24435/materialscloud:6v-c9