Excited-State Dopant–Host Energy-Level Alignment: Toward a Better Understanding of the Photoluminescence Behaviors of Doped Phosphors
Ranyun Wu, Yingmeng Liu, Jiang Tang, Zewen Xiao
Abstract
Luminescent materials, also known as phosphors, have been widely used for applications such as emissive displays, fluorescent lamps, light-emitting diodes, and X-ray scintillation detectors. The energy-level diagram of a phosphor is extremely important for understanding its photoluminescence behavior. Here, we demonstrate through a combined density functional theory and experimental study that excited-state energy-level alignment accounts for the photoluminescence behaviors much better than ground-state energy-level alignment. An efficient doped phosphor should exhibit a type I excited-state dopant-host energy-level alignment, regardless of whether its ground-state alignment is type I. A type II excited-state dopant-host energy-level alignment implies that exciton dissociation, resulting in photoluminescence quenching. Our results provide not only a better understanding of the photoluminescence behaviors of the reported phosphors but also critical guidance for designing prospective luminescent materials.