On the mechanical, electronic, and optical properties of the boron nitride analog for the recently synthesized biphenylene network: a DFT study
Fábio Ferreira Monteiro, William Ferreira Giozza, Rafael T. de Sousa, Pedro Henrique de Oliveira Neto, Luiz Antônio Ribeiro, Marcelo Lopes Pereira
Topics & Concepts
Density functional theoryCASTEPHybrid functionalPseudopotentialMaterials scienceBiphenyleneBasis setElectron affinity (data page)Band gapComputational chemistryChemistryCondensed matter physicsOptoelectronicsPhenylenePhysicsMoleculeOrganic chemistryComposite materialPolymerBoron and Carbon Nanomaterials ResearchGraphene research and applications2D Materials and Applications