Role of early-stage chemistry and reactor environment in carbon nanotube formation by floating catalyst CVD
Artykuł w czasopiśmie
MNiSW
140
Lista 2024
| Status: | |
| Autorzy: | Nowicki Łukasz, Som Narayan N., Giżewski Tomasz, Milowska Karolina Z., Al-Naimy Linda, Lepak Sandra, Antonowicz Jerzy, Szybowicz Mirosław, Nowicka Ariadna B., Jakubowska Małgorzata, Łękawa-Raus Agnieszka |
| Dyscypliny: | |
| Aby zobaczyć szczegóły należy się zalogować. | |
| Rok wydania: | 2026 |
| Wersja dokumentu: | Drukowana | Elektroniczna |
| Język: | angielski |
| Numer czasopisma: | 54 |
| Wolumen/Tom: | 14 |
| Strony: | 37382 - 37401 |
| Impact Factor: | 9,2 |
| Web of Science® Times Cited: | 0 |
| Scopus® Cytowania: | 0 |
| Bazy: | Web of Science | Scopus |
| Efekt badań statutowych | NIE |
| Finansowanie: | This work was supported by an Industry Cooperation funded by Inneon Technologies Austria AG during IPCEI Microelectronics. L. N., N. N. S., and A. L.-R. would also like to thank The Warsaw University of Technology Excellence Initiative (POST- DOC PW V edition PR-IDUB/374/Z01/Z10/2023 and Technologie Materialowe – 3 ADVANCED POB 1820/359/Z01/POB5/2021) or funding. N. N. S. and K. Z. M. gratefully acknowledge the Interdisciplinary Centre for Mathematical and Computational Modelling at the University of Warsaw, Poland (Grant No. G47- 5), for providing computer facilities and technical support. N. N. S. also gratefully acknowledges the Polish high-performance computing infrastructure PLGrid (HPC Center: ACK Cyfronet AGH) for providing computer facilities and support within computational grant no. PLG/2024/017929. K. Z. M. acknowledges the technical and human support provided by the DIPC Supercomputing Center, Spain. K. Z. M. would also like to thank the European Commission (Marie Sk lodowska-Curie Cofund Programme; grant no. H2020-MSCA-COFUND-2020-101034228-WOLFRA 2) for supporting this research. M. S. and A. B. N. would also like to thank Poznan University of Technology for Financial support. |
| Materiał konferencyjny: | NIE |
| Publikacja OA: | TAK |
| Licencja: | |
| Sposób udostępnienia: | Witryna wydawcy |
| Wersja tekstu: | Ostateczna wersja opublikowana |
| Czas opublikowania: | W momencie opublikowania |
| Data opublikowania w OA: | 27 lipca 2026 |
| Abstrakty: | angielski |
| Carbon nanotubes (CNTs) are key carbon nanomaterials for a range of energy-related applications. The performance of these applications strongly depends on the electrothermal properties of CNTs, which are governed by the structure developed during synthesis. Here, we investigate how early-stage chemical reactions evolve for different hydrocarbon precursors and how the carrier gas and reactor-environment effects influence CNT formation in floating-catalyst chemical vapour deposition (FCCVD). In this work, experimental observations were correlated with reactive molecular dynamics (MD) simulations of early- stage reaction pathways, as well as FEM and CFD simulations of temperature distributions and gas-flow behaviour inside the reactor. FEM/CFD modelling revealed spatially confined growth zones and reactor- scale thermal asymmetries that strongly influence precursor decomposition and CNT deposition. CNTs were synthesised using aromatic and linear hydrocarbon precursors, including toluene and C6–C16 alkanes, at temperatures between 760 and 960 °C in an argon atmosphere. The results show that increasing alkane chain length enhances carbon availability and nanotube yield but reduces crystallinity and increases structural disorder, whereas moderate temperatures improve structural quality. Reactive MD simulations reveal that aromatic precursors promote stronger Fe–C interactions and stable iron cluster formation, favourable for ordered CNT formation, while longer alkanes generate intermediates that weaken catalyst clustering and increase structural heterogeneity. These findings suggest that differences in CNT structure originate already during the earliest stages of precursor decomposition, Fe clustering, and carbon-species evolution, prior to fully developed nanotube growth, and are governed not only by feedstock composition but also by reactor-scale effects. |
