DFT characterization of a new possible two-dimensional BN allotrope with a biphenylene network structure
Yang Han, Tingxiang Hu, Xiaochuang Liu, Shijie Jia, Hangbing Liu, Junyu Hu, Guolei Zhang, Longbin Yang, Guo Hong, Yitung Chen
Abstract
hybridization. Finally, a bilayer structure was also proposed. Our obtained results provide more insights into two-dimensional biphenylene network BN based structures and those family materials which could be widely used in relevant nanoelectronic devices.
Topics & Concepts
BiphenyleneMaterials scienceDensity functional theoryCrystallographyElectronic structureChemistryChemical physicsComputational chemistryComposite materialPhenylenePolymerGraphene research and applicationsBoron and Carbon Nanomaterials Research2D Materials and Applications