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• W4386788174 abstract "Belt-shaped aromatic compounds are among the most attractive classes of radial π-conjugated nanocarbon molecules with unique physical and chemical properties. In this work, we computationally studied a number of all-carbon and heteroatom-bridged nanobelts, as well as their inclusion complexes with fullerene C60. Our results provide a useful guide for modulating the electronic properties of the nanobelts. An in-depth analysis of the ground and excited state properties of their complexes has allowed us to establish structure-property relationships and propose simple principles for the design of nanobelts with improved electron-donating properties suitable for photovoltaic applications." @default.
• W4386788174 created "2023-09-16" @default.
• W4386788174 creator A5018183133 @default.
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• W4386788174 creator A5068711361 @default.
• W4386788174 date "2023-01-01" @default.
• W4386788174 modified "2023-10-15" @default.
• W4386788174 title "A step towards rational design of carbon nanobelts with tunable electronic properties" @default.
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• W4386788174 doi "https://doi.org/10.1039/d3nr04045c" @default.
• W4386788174 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/37791958" @default.
• W4386788174 hasPublicationYear "2023" @default.
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