Solar materials

   In collaborating with experimental groups, we investigate electronic, optical and transport properties of photovoltaic materials such and iron pyrite (FeS2). Our main objective is to provide guidance for the experimental search, design and optimization of high-performance PV materials and devices.

1. J. Hu, Y.N. Zhang, M. Law, and R.Q. Wu, "First-principles studies of the electronic properties of native and substitutional anionic defects in bulk iron pyrite (FeS2)", Phys. Rev. B 85, 085203 (2012).  pdf
2. Y.N. Zhang, J. Hu, M. Law, and R.Q. Wu, "Effect of surface stoichiometry on the band gap of the pyrite FeS2(100) surface", Phys. Rev. B 85, 085314 (2012).  pdf
3. Jun Hu, Yanning Zhang, Matt Law, and Ruqian Wu, "Increasing the Band Gap of Iron Pyrite by Alloying with Oxygen", J. Am. Chem. Soc. 134, 13216 (2012).  pdf
4. S. Choi, J. Hu, M. Limpinsel, S. Zollner, L. Abdullah, Y.N. Zhang, R.Q. Wu, and M. Law, "Pseudodielectric function and critical point energies of iron pyrite", Phys. Rev. B 86, 115207 (2012).  pdf
5. S. Seefeld, M. Limpinsel, Y. Liu, N. Farhi, Y.N. Zhang, N. Berry, Y. J. Kwon, C.L. Perkins, S.K. Choi, J.C. Hemminger, R.Q. Wu, and M. Law, “Iron Pyrite Thin Films Synthesized from an Fe(acac)3 Ink”, J. Am. Chem. Soc. 135, 4412 (2013).  pdf