Thermochemical stability, and electronic and dielectric properties of Janus bismuth oxyhalide BiOX (X = Cl, Br, I) monolayers
Tilak Das, Soumendu Datta
Abstract
calculations including local field and spin-orbit effects. The larger dielectric constants and wider differences in the charge carriers' effective masses also provide proof that this new class of 2D materials has potential in photo-electrochemical applications. Thus, fabricating Janus monolayers of these oxyhalide compounds would open up a rational design strategy for tailoring their optoelectronic properties, which may offer guidance for the design of highly efficient optoelectronic materials for catalysis, valleytronic, and sensing applications.
Topics & Concepts
MonolayerDielectricJanusDensity functional theoryBand gapBismuthMaterials scienceChemical physicsChemistryComputational chemistryNanotechnologyOptoelectronicsMetallurgyMXene and MAX Phase Materials2D Materials and ApplicationsAdvanced Photocatalysis Techniques