Nanocarbons: Advances and Innovations

A special issue of Surfaces (ISSN 2571-9637).

Deadline for manuscript submissions: 31 December 2025 | Viewed by 261

Special Issue Editor


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Guest Editor
Nanotechnology Centre, Centre for Energy and Environmental Technologies, VŠB–Technical University of Ostrava, 17. listopadu 2172/15, 708 00 Ostrava-Poruba, Czech Republic
Interests: organic synthesis; nanocarbon; heteroatom; molecules

Special Issue Information

Dear Colleagues,

Commemorating the 40th anniversary of the discovery of the spherical fullerene C₆₀ (1985), this Special Issue offers a forward-looking perspective on nanocarbon research as we approach 2026, reflecting on the legacy being built for future generations.

Nanocarbon materials represent a diverse family of nanoscale carbon allotropes that have revolutionized materials science. Building upon the foundational discoveries of fullerenes, carbon nanotubes (CNTs), and graphene, pioneered by numerous researchers, the field continues to diversify rapidly. This expansion is driven by advancements in top-down and bottom-up synthesis, functionalization techniques, heteroatom doping, and, increasingly, predictive theoretical calculations and AI-driven design.

Notably, despite the breadth of research and development, a surprising number of these diverse nanocarbons remain unclassified—even as IUPAC has defined both "nano" and various carbon structures. Emerging nanocarbons often defy traditional classifications, underscoring the dynamic and transformative nature of this research frontier.

Understanding these new structures demands cutting-edge surface analysis techniques capable of resolving atomic-level details (size, shape, and defects). This is critical because the unique properties of all nanocarbons are intrinsically tied to their precise structure (dimensionality, chirality, doping, etc.). Consequently, achieving structural control during synthesis is paramount for realizing their potential in applications.

The modern emphasis on practical applications often requires large budgets for end-to-end research. This focus can inadvertently sideline promising materials research lacking immediate applicability, hindering publication and limiting recognition by applied scientists. Open access Special Issues like this one play a vital role in bridging that gap, offering a platform for early-stage discoveries to gain recognition and inspire future innovation.

This Special Issue provides a dedicated platform for researchers investigating diverse nanocarbon allotropes such as nanographene, graphene nanoribbons (GNRs), CNTs, fullerenes, nanodiamonds, and other emerging systems. We welcome submissions of original research articles and short critical reviews of theoretical explorations or practical/experimental research in this dynamic field.

Dr. Soichiro Nakatsuka
Guest Editor

Manuscript Submission Information

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Keywords

  • synthesis
  • nanocarbon
  • heteroatom doping
  • graphene
  • nanoribbon
  • GNR
  • Nanotube
  • CNT
  • fullerene
  • nanodiamond
  • defect
  • allotrope

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Published Papers (1 paper)

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Research

15 pages, 2912 KB  
Article
Adsorption of Lanthanide Atoms on a Graphene Cluster Model Incorporating Stone–Wales Defect
by Vladimir A. Basiuk and Elena V. Basiuk
Surfaces 2025, 8(3), 63; https://doi.org/10.3390/surfaces8030063 - 29 Aug 2025
Abstract
To study the adsorption of lanthanide (Ln) atoms on graphene containing a Stone–Wales defect, we used a cluster model (SWG) and performed calculations at the PBE-D2/DNP level of the density functional theory. Our previous study, where the above combination was complemented with the [...] Read more.
To study the adsorption of lanthanide (Ln) atoms on graphene containing a Stone–Wales defect, we used a cluster model (SWG) and performed calculations at the PBE-D2/DNP level of the density functional theory. Our previous study, where the above combination was complemented with the ECP pseudopotentials, was only partially successful due to the impossibility of calculating terbium-containing systems and a serious error found for the SWG complex with dysprosium. In the present study we employed the DSPP pseudopotentials and completely eliminated the latter two failures. We analyzed the optimized geometries of the full series of fifteen SWG + Ln complexes, along with their formation energies and electronic parameters, such as frontier orbital energies, atomic charges, and spins. In many regards, the two series of calculations show qualitatively similar features, such as roughly M-shaped curves of the adsorption energies and trends in the changes in charge and spin of the adsorbed Ln atoms, as well as the spin density plots. However, the quantitative results can differ significantly. For most characteristics we found no evident correlation with the lanthanide contraction. The only dataset where this phenomenon apparently manifests itself (albeit to a limited and irregular degree) is the changes in the closest LnC approaches. Full article
(This article belongs to the Special Issue Nanocarbons: Advances and Innovations)
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