Archicarbons: New Carbon Allotropes Build from Circular Arches of Carbon Atoms as Building Blocks
Fabio Henrique,
Felipe Oliveira,
Pierre Esteves
Abstract:Molecular and periodic allotropes based on cyclo[18]carbon, known as archicarbons, were investigated using density functional theory (DFT) in both molecular and periodic models. This study explores the physicochemical characteristics of these exquisite carbon allotropes, including various molecular archicarbons (spiro[18]carbon, bicyclo[8]carbon, 0-tricyclo[8] carbon, 0-bi(cyclo[19]carbon), 1-bi(cyclo[19]carbon), and 0-fused[18]carbon) and periodic archicarbons (poly-spiro[8]carbon, poly-0-bi(cyclo[8]carbon), … Show more
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