Twist angle can expand charge carrier diffusion length in bilayer black phosphorus: <i>ab initio</i> quantum dynamics
Yonghao Zhu, Run Long
Abstract
Focusing on bilayer black phosphorus (BP) and performing nonadiabatic molecular dynamic (NA-MD) simulations, we demonstrate that appropriate twist angles can significantly improve the charge carrier lifetime and diffusion length.
Topics & Concepts
BilayerDiffusionTwistAb initioBlack phosphorusCharge (physics)Chemical physicsMolecular dynamicsMolecular physicsCharge carrierDynamics (music)Materials scienceChemistryCondensed matter physicsPhysicsComputational chemistryQuantum mechanicsOptoelectronicsMembraneGeometryAcousticsMathematicsBiochemistry2D Materials and ApplicationsPerovskite Materials and ApplicationsNanowire Synthesis and Applications