Effect of the number of nitrogen dopants on the electronic and magnetic properties of graphitic and pyridinic N-doped graphene – a density-functional study
Erik Bhekti Yutomo, Fatimah A. Noor, Toto Winata
Abstract
model. This study provides a deeper understanding of the modification of electronic and magnetic properties of N-doped graphene by controlling the bond configuration and the number of nitrogen dopants.
Topics & Concepts
DopantGrapheneMaterials scienceDensity functional theoryBand gapDopingMagnetic momentElectronic structureAtom (system on chip)Chemical physicsCondensed matter physicsParamagnetismNanotechnologyComputational chemistryChemistryPhysicsOptoelectronicsEmbedded systemComputer scienceGraphene research and applicationsAdvancements in Battery Materials2D Materials and Applications