Liping Yu

Liping YuYu
Assistant Professor of Physics

  • 1999  B.S., Zhejiang University
  • 2002  M.S., Shanghai Institute of Applied Physics
  • 2009 Ph.D., North Carolina State University

Office #: 105 Bennett Hall

Phone #: (207) 581-1029


Research Interests:

  • Condensed Matter and Materials Theory
  • Inverse design of materials for energy and electronics
  • Density functional theory and first-principles computation
  • Point defects in solids
  • Surface and interface properties of materials
  • Catalysis, photovoltaics, and energy storage
  • Two-dimensional materials for flexible electronics


L. Yu, Q. yan, and A. Ruszinzsky. “Negative Poisson’s Ration in 1T-Type Crystalline Transition Metal Dichalcogenides.” Nature Communications 8, 15224 (2017)

X. Zhao, J. Yang, Y. Fu, D. Yang, Q. Xu, L. Yu, S.H. Wei and L. Zhang. “Design of Lead-free Inorganic Halide Perovskites for Solar Cells via Cation-Transmutation.” J. Am. Chem. Soc. 139, 2630 (2017)

L. Yu, A. Ruszinzsky, and John P. Perdew. “Bending Two-Dimensional Materials to Control Charge Localization and Fermi-Level Shift.” Nano Letters 16, 2444-2449 (2016) DOI

R. Gautier, X. Zhang, L. Hu, L. Yu, Y. Lin, Tor O. L. Sunde, D. Chon, K.R. Poeppelmeier, and A. Zunger. “Prediction and Laboratory Discovery of New 18-Electron ABX Compounds and Their Functionality.” Nature Chemistry 7, 308 (2015) DOI

L. Yu and R. Raj. “On the Thermodynamic Stability of the Amorphous Phase in Polymer-Derived SiCO.” Scientific Reports 5, 14550 (2015) DOI

F. Yan, X. Zhang, Y. Yu, L. Yu, A Nagaraja, T. Mason and A. Zunger. “Design of Tairge: A P-Type, Wide Band Gap Ternary Half-Heusler Semiconductor.” Nature Communications 6, 7308 (2015) DOI

L. Yu and A. Zunger. “A Polarity-Induced Defect Mechanism for Conductivity and Magnetism at Polar-Nonpolar Oxide Interfaces.” Nature Communications 5, 5118 (2014) DOI

L. Yu, R.S. Kokenyesi, D. A. Keszler, and A. Zunger. “Inverse Design of High Absorption Thin-Film Photovoltaic Materials.” Advanced Energy Materials 3, 43 (2013) DOI

L. Yu and A. Zunger. “Identification of Potential Photovoltaic Absorber Materials From First Principles Spectroscopic Material Screening.” Phys. Rev. Lett. 108, 068701 (2012) DOI

L. Yu, S. Lany, R. Kykyneshi, V. Jieratum, R. Ravichandran, B. Pelett, E. Altschul, H. Platt, J.F. Wager, D. A. Keszler and A. Zunger. “Iron Chalcogenide Photovoltaic Absorbers.” Advanced Energy Materials 1, 748 (2011) DOI

L. Yu, V. Ranjan, M. Buongiorno Nardelli and J. Bernholc. “First-Priciples Investigations of the Dielectric Properties of Polypropylene/Metal-Oxide Interfaces.” Phys. Rev. B 80, 165432 DOI