Optical gaps and excitons in semiconducting transition metal carbides (MXenes)
Tomi Ketolainen, František Karlický
Abstract
The optical and excitonic properties of semiconducting two-dimensional transition metal carbides, MXenes, are studied by using time-dependent density functional theory calculations along with the HSE06 hybrid functional.
Topics & Concepts
MXenesMaterials scienceExcitonDensity functional theoryCondensed matter physicsCarbideHybrid functionalTransition metalMetalChemical physicsNanotechnologyComputational chemistryPhysicsChemistryMetallurgyCatalysisBiochemistryMXene and MAX Phase Materials2D Materials and ApplicationsBoron and Carbon Nanomaterials Research