Location
Physics : 401
Date & Time
February 17, 2016, 3:30 pm – 4:30 pm
Description
TITLE: Designing Advanced Materials for Next-Generation Electronic and Optoelectronic Applications
ABSTRACT: 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 electronic and optoelectronic applications. I will focus on three examples: (i) designing super photovoltaic solar-light absorbing materials for thin-film solar cell applications [1-2], (ii) designing highly conductive oxide interface materials for next-generation nanoelectronics [3], 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 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 conventional trial-and-error process of finding new materials. The research challenges and opportunities in the fields exemplified above will also be briefly discussed.
[1] L. Yu & A. Zunger, “Identification of Potential Photovoltaic Absorbers Based on First-Principles Spectroscopic Screening of Materials.” Phys. Rev. Lett. 108, 068701 (2012).
[2] L. Yu, R.S. Kokenyesi, D.A. Keszler, & A. Zunger, “Inverse Design of High Absorption Thin‐Film Photovoltaic Materials.” Advanced Energy Materials 3, 43-48 (2013).
[3] L. Yu, & A. Zunger, “A Polarity-Induced Defect Mechanism for Conductivity and Magnetism at Polar–Nonpolar Oxide Interfaces.” Nature Communications 5, 5118 (2014).
ABSTRACT: 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 electronic and optoelectronic applications. I will focus on three examples: (i) designing super photovoltaic solar-light absorbing materials for thin-film solar cell applications [1-2], (ii) designing highly conductive oxide interface materials for next-generation nanoelectronics [3], 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 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 conventional trial-and-error process of finding new materials. The research challenges and opportunities in the fields exemplified above will also be briefly discussed.
[1] L. Yu & A. Zunger, “Identification of Potential Photovoltaic Absorbers Based on First-Principles Spectroscopic Screening of Materials.” Phys. Rev. Lett. 108, 068701 (2012).
[2] L. Yu, R.S. Kokenyesi, D.A. Keszler, & A. Zunger, “Inverse Design of High Absorption Thin‐Film Photovoltaic Materials.” Advanced Energy Materials 3, 43-48 (2013).
[3] L. Yu, & A. Zunger, “A Polarity-Induced Defect Mechanism for Conductivity and Magnetism at Polar–Nonpolar Oxide Interfaces.” Nature Communications 5, 5118 (2014).