<i>In silico</i> design of 2D polymers containing truxene-based platforms: insights into their structural and electronic properties
Sergio Gámez‐Valenzuela, Marcelo Echeverri, Berta Gómez‐Lor, José I. Martínez, M. Carmen Ruiz Delgado
Abstract
A total of 27 different 2D truxene-based polymers were theoretically investigated. Our results provide interesting guidelines to design novel 2D materials with applications ranging from sensing to photocatalysis or electronics.
Topics & Concepts
Materials sciencePolymerElectronicsIn silicoPhotocatalysisNanotechnologyRangingRational designComputer scienceComposite materialOrganic chemistryPhysical chemistryTelecommunicationsChemistryCatalysisBiochemistryGeneCovalent Organic Framework ApplicationsLuminescence and Fluorescent MaterialsGraphene research and applications