7. DISCOVERY OF NOVEL NARROW-BAND RED PHOSPHORS USING HIGH-THROUGHPUT FIRST PRINCIPLES DESCRIPTORS
Research Institute Affiliation: Agile - Sustainable Power and Energy Center (SPEC)
Faculty Advisor(s): Shyue Ping Ong
Name: Zhenbin Wang
Grad Year: 2019
As a red component, nitride phosphors are widely used in achieving warm-light-emitting diodes (LEDs) with high color rendition. There is therefore a huge impetus for the development of new nitride phosphors to further improve the luminous efficacy and color rendition of phosphor-converted LEDs. However, the harsh synthesis conditions (high temperature and/or high pressure) of nitride phosphors have severely hindered this development. In this talk, we outline a computationally efficient multi-property screening framework for identifying promising narrow-band red-emitting phosphors utilizing the Eu2+ activator based on first principles calculations. This screening relies on the use of first principles descriptors that correlate with desired red phosphor properties, such as high thermal/chemical stability, high quantum efficiency, near-UV absorption wavelength and narrow red emission band. We will demonstrate the applicability of our approach through its ability to identify existing well-known narrow-band red phosphors. Finally, we will propose several promising novel red phosphor host materials using this approach. Our study presents a highly efficient way to discover and design novel phosphors for illumination-grade lighting.
Industry Application Area(s)
Energy/Clean technology | Materials