Polyyne electronic and vibrational properties under environmental interactions
| Autor: | Thomas Pichler, Marius Wanko, Philip Rohringer, Lei Shi, Lukas Novotny, Zachary J. Lapin, Paola Ayala, Angel Rubio, S. Cahangirov |
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| Přispěvatelé: | European Commission, European Research Council, Eusko Jaurlaritza, Universidad del País Vasco, Austrian Science Fund, China Scholarship Council, Swiss National Science Foundation |
| Rok vydání: | 2016 |
| Předmět: |
Polyyne
Materials science Phonon FOS: Physical sciences Nanotechnology 02 engineering and technology Carbon nanotube 010402 general chemistry 01 natural sciences law.invention symbols.namesake law Mesoscale and Nanoscale Physics (cond-mat.mes-hall) chemistry.chemical_classification Condensed Matter - Mesoscale and Nanoscale Physics Charge (physics) Polymer 021001 nanoscience & nanotechnology 0104 chemical sciences chemistry Chemical physics Intramolecular force symbols van der Waals force 0210 nano-technology Raman spectroscopy |
| Zdroj: | Physical Review B Digital.CSIC. Repositorio Institucional del CSIC instname Digital.CSIC: Repositorio Institucional del CSIC Consejo Superior de Investigaciones Científicas (CSIC) |
| ISSN: | 2469-9950 |
| DOI: | 10.1103/PhysRevB.94.195422 |
| Popis: | Recently the novel system of linear carbon chains inside double-walled carbon nanotubes has extended the length of sp1 hybridized carbon chains from 44 to thousands of atoms [Shi et al., Nat. Mater. 15, 634 (2016)]. The optoelectronic properties of these ultralong chains are poorly described by current theoretical models, which are based on short chain experimental data and assume a constant environment. As such, a physical understanding of the system in terms of charge transfer and van der Waals interactions is widely missing. We provide a reference for the intrinsic Raman frequency of polyynes in vacuo and explicitly describe the interactions between polyynes and carbon nanotubes. We find that van der Waals interactions strongly shift this frequency, which has been neither expected nor described for other intramolecular C-C stretching vibrations. As a consequence of charge transfer from the tube to the chain, the Raman response of long chains is qualitatively different from the known phonon dispersion of polymers close to the Γ point. Based on these findings we show how to correctly interpret the Raman data, considering the nanotube's properties. This is essential for its use as an analytical tool to optimize the growth process for future applications. M.W. and A.R. acknowledge financial support by the European Research Council (ERC-2010-AdG-267374), Spanish MINECO (FIS2013-46159-C3-1-P), Grupos Consolidados (IT578-13), AFOSR Grant No. FA2386-15-1-0006 AOARD 144088, H2020-NMP-2014 project MOSTOPHOS (GA No. 646259), and COST Action MP1306 (EUSpec). Technical and human support provided by IZO-SGI (SGIker) of UPV/EHU. S.C. acknowledges financial support from the Marie Curie Grant FP7-PEOPLE-2013-IEF project ID 628876. T.P. acknowledges support from the Austrian Science Fund (FWF, NanoBlends I 943–N19). L.S. acknowledges the scholarship supported by the China Scholarship Council. Z.J.L. and L.N. acknowledge Swiss National Science Foundation (CR2212-152944). |
| Databáze: | OpenAIRE |
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