In Silico Design of 2D Polymers Containing Truxene-Based Platforms: Insights into their Structural and Electronic Properties

Sergio Gámez-Valenzuela, Marcelo Alejandro Echeverri Muñoz, Berta Gomez-Lor, José Ignacio Martínez, M. Carmen Ruiz Delgado
2020 Journal of Materials Chemistry C  
In the present work, we investigate at the density functional theory (DFT) level, two-dimensional (2D) conjugated polymers based on C3-symmetric truxene-based cores. In total, 27 different 2D polymers have been...
doi:10.1039/d0tc03139a fatcat:qryudvahurexznmueh5hwku67a