Nanoscale
First-principles and machine learning investigation of the structural and optoelectronic properties of dodecaphenylyne: a novel carbon allotrope.
Kleuton A L Lima, José A S Laranjeira, Nicolas F Martins, Julio R Sambrano, Alexandre C Dias, Luiz A Ribeiro Junior, Douglas S Galvão
Published: 202610.1039/d5nr02744f
Abstract
We report the computational discovery and characterization of Dodecaphenylyne (DP), a novel carbon allotrope with a unique geometric structure. The structural, dynamic, mechanical, electronic, and optical properties of DP were evaluated using density…
Preview only. Read the full abstract at the source