The unique physical properties of carbyne, a novel carbon nanostructure, have attracted considerable interest in modern nanotechnology. While carbyne synthesis has been accomplished successfully using diverse techniques, the underlying mechanisms governing the carbon monoxide-dependent catalytic synthesis of endohedral carbyne remain poorly understood. In this simulation-based study, we investigate the synthesis of endohedral carbyne from carbon and carbon monoxide radicals in the presence of a nickel catalyst inside double-walled carbon nanotubes with a (5,5)@(10,10) structure. The outcome of our investigation demonstrates that the incorporation of the carbon atom within the Nin@(5,5)@(10,10) model system initiates the formation of an elongated carbon chain. In contrast, upon the introduction of carbon monoxide radicals, the growth of the carbyne chain is inhibited as a result of the oxidation of endohedral nickel clusters by oxygen atoms after the initial steps of nucleation. Our findings align with prior theoretical, simulation, and experimental investigations, reinforcing their consistency and providing valuable insights into the synthesis of carbyne-based nanodevices that hold promising potential for future advancements in nanotechnology.
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14 October 2023
Research Article|
October 10 2023
The role of carbon monoxide in the catalytic synthesis of endohedral carbyne
Kamoliddin Mehmonov
;
Kamoliddin Mehmonov
(Formal analysis, Investigation, Methodology, Software, Validation, Visualization, Writing – original draft)
1
Arifov Institute of Ion-Plasma and Laser Technologies, Academy of Sciences of Uzbekistan
, Tashkent 100125, Uzbekistan
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Aziza Ergasheva
;
Aziza Ergasheva
(Formal analysis, Investigation, Methodology, Resources, Software, Validation, Visualization, Writing – original draft)
1
Arifov Institute of Ion-Plasma and Laser Technologies, Academy of Sciences of Uzbekistan
, Tashkent 100125, Uzbekistan
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Maksudbek Yusupov
;
Maksudbek Yusupov
(Formal analysis, Methodology, Writing – original draft, Writing – review & editing)
2
School of Engineering
, Central Asian University
, Tashkent 111221, Uzbekistan
3
Department of Information Technologies, Tashkent International University of Education
, Tashkent 100207, Uzbekistan
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Umedjon Khalilov
Umedjon Khalilov
a)
(Conceptualization, Funding acquisition, Supervision, Writing – review & editing)
4
School of Engineering, New Uzbekistan University
, Tashkent 100007, Uzbekistan
5
Research group PLASMANT, Department of Chemistry, National Research University TIIAME
, Tashkent 100000, Uzbekistan
6
University of Antwerp
, Antwerp 2610, Belgium
a)Author to whom correspondence should be addressed: [email protected]
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a)Author to whom correspondence should be addressed: [email protected]
J. Appl. Phys. 134, 144303 (2023)
Article history
Received:
June 06 2023
Accepted:
September 21 2023
Citation
Kamoliddin Mehmonov, Aziza Ergasheva, Maksudbek Yusupov, Umedjon Khalilov; The role of carbon monoxide in the catalytic synthesis of endohedral carbyne. J. Appl. Phys. 14 October 2023; 134 (14): 144303. https://doi.org/10.1063/5.0160892
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