Tailoring topological order and pi-conjugation to engineer quasi-metallic polymers

0533905 - FZÚ 2021 RIV GB eng J - Journal Article
Cirera, B. - Sánchez-Grande, A. - De La Torre Cerdeño, Bruno - Santos, J. - Edalatmanesh, Shayan - Rodriguez-Sanchez, E. - Lauwaet, K. - Mallada Faes, Benjamin Jose - Zbořil, R. - Miranda, R. - Gröning, O. - Jelínek, Pavel - Martín, N. - Ecija, D.
Tailoring topological order and pi-conjugation to engineer quasi-metallic polymers.
Nature Nanotechnology. Roč. 15, č. 6 (2020), s. 437-443. ISSN 1748-3387. E-ISSN 1748-3395
Grant - others:AV ČR(CZ) AP1601
Program: Akademická prémie - Praemium Academiae
Institutional support: RVO:68378271
Keywords : nc-AFM * on surface chemistry * 1D chains * DFT * topology
OECD category: Physical chemistry
Impact factor: 39.213, year: 2020
Method of publishing: Limited access
https://doi.org/10.1038/s41565-020-0668-7

Topological band theory predicts that a topological electronic phase transition between two insulators must proceed via closure of the electronic gap. Here, we use this transition to circumvent the instability of metallic phases in pi-conjugated one-dimensional (1D) polymers. By means of density functional theory, tight-binding and GW calculations, we predict polymers near the topological transition from a trivial to a non-trivial quantum phase. We then use on-surface synthesis with custom-designed precursors to make polymers consisting of 1D linearly bridged acene moieties, which feature narrow bandgaps and in-gap zero-energy edge states when in the topologically non-trivial phase close to the topological transition point. We also reveal the fundamental connection between topological classes and resonant forms of 1D pi-conjugated polymers.
Permanent Link: http://hdl.handle.net/11104/0312135