MSE Areas: photo-electrochemical water-splitting materials
Liping Yu’s research in computational materials science focuses on materials design, which involves the (1) fundamental understanding and prediction of material properties from first principles calculations for numerous materials, (2) identification of structure-property relations from data mining, and (3) finding of new and/or improved materials for renewable energy and other applications. The materials of his interest include Earth-abundant photovoltaic absorbers, transparent conductors, photo-electrochemical water-splitting materials, energy storage materials, and functional metal oxide interfaces. He works closely with other experimental and theoretical groups in the “Center for Inverse Design”, an Energy Frontier Research Center of the U.S. DOE Office of Science.
L. Yu, R. S. Kokenyesi, D. A. Keszler, and A. Zunger, “Inverse Design of High Absorption Thin-Film Photovoltaic Materials”, Adv. Energy Mater. 3, 43(2013)
L. Yu and A. Zunger, “Identification of Potential Photovoltaic Absorbers Based on First-Principles Spectroscopic Screening of Materials,” Phys. Rev. Lett. 108, 068701(2012).
L. Yu , S. Lany, R. Kykyneshi, V. Jieratum, R. Ravichandran, B. Pelatt, E. Altschul, H. Platt, J.F. Wager, D.A. Keszler, and A. Zunger. “Iron Chalcogenide Photovoltaic Absorbers,” Adv. Energy Mater. 1, 748-753 (2011).