Colloquium 142

Title: First Principles Design of Materials for Energy Applications

Speaker: Su-Huai Wei, National Renewable Energy Laboratory

Location: Room 111, Physics Building

Time: 15:00-16:00, Wed, April 2 2014
 
Abstract:
Materials design using first-principles techniques is one of the ultimate goals in computational materials science. Due to the recent advances in first-principles electronic structure theory and computing power, it is now possible to perform knowledge-based computational design of materials with unique optical, electrical, magnetic, and/or thermal properties that are tuned to specific energy related applications. This approach has now become a vital tool in accelerating scientific discovery of energy materials. In this talk, selective works from my group will be discussed to illustrate how computational methods can be used to understand and design functional energy materials including earth-abundant PV absorber materials; bipolar dopable transparent conducting oxides; oxides for H2 production through PEC water splitting; energy storage materials; and materials for solid state lighting.