Instabilities in carbon nanocone stacks
Sign Up to like & getrecommendations! Published in 2018 at "Carbon"
DOI: 10.1016/j.carbon.2017.11.023
Abstract: Abstract Possessing remarkable electronic, mechanical and optical properties, pristine single-walled carbon nanocones (CNCs) are envisioned here to be pulled-out co-axially from a nanocone stack. The process is simulated using molecular mechanics (MM) and dynamics (MD)… read more here.
Keywords: system; instabilities carbon; cone; carbon nanocone ... See more keywords
Enhancing the reactivity, electronic, linear and non-linear optical properties of C45H15-like carbon nanocone doped with titanium dioxide, boron, and nitrogen: DFT and TD-DFT study
Sign Up to like & getrecommendations! Published in 2023 at "Physica Scripta"
DOI: 10.1088/1402-4896/acd030
Abstract: The density functional theory (DFT) levels B3LYP, B3PW91 and CAM-B3LYP/6–31+G(d) were used to systematically evaluate the reactivity, electronic, linear and non-linear optical (NLO) properties of the titanium dioxide, boron and nitrogen-doping C45H15-like carbon nanocone. Due… read more here.
Keywords: carbon; carbon nanocone; dft; boron ... See more keywords
Edge Metric Dimension and Edge Basis of One-Heptagonal Carbon Nanocone Networks
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DOI: 10.1109/access.2022.3158982
Abstract: A molecular (chemical) graph is a simple connected graph, where the vertices represent the compound’s atoms and the edges represent bonds between the atoms, and the degree (valence) of every vertex (atom) is not more… read more here.
Keywords: heptagonal carbon; carbon nanocone; edge metric; metric dimension ... See more keywords