Designing Advanced Materials for Energy and Nanoelectronic Applications

March 3, 2017

Liping Yu, Department of Physics, Temple University

Today, the needs for new or improved functional materials are greater than ever. In this talk, I will present our recent research advances in designing new materials for energy and nanoelectronic applications. I will focus on three examples: (i) designing super solar-light absorbing materials for nanoscale thin-film solar cell applications, (ii) designing highly conductive oxide interface materials for next-generation nanoelectronics, and (iii) designing functional layered two-dimensional materials for flexible electronics and energy applications. Some newly discovered functional materials, their experimental validation, as well as the underlying structure-property relationships (or design principles) will be presented.  Along with these examples, I will show an inverse materials design approach powered by quantum-mechanical density functional theory and high-throughput first principles calculations. This approach places functionality first, searches for the material that has a set of physical properties optimized for such functionality, and aims to dramatically shorten the process of finding new materials. The research challenges and opportunities in the fields as exemplified above will also be briefly discussed.