Jin Zhao

  • Adjunct Professor
(412) 624-9577


1. The wet electron structure of the H/H2O/TiO2(110) surfaces system using Density Functional Theory.

2. The excited state structure of H/H2O/TiO2(110) using delta-scf method and TDDFT.

3. The resonance of alkali atoms adsorbed on Ag and Cu surface using first-principle and model potential calculation methods.


  •  M.T. Thomas Award for Outstanding Postdoctoral Achievement, 2007

Selected Publications

1. Jin Zhao, Jinlong Yang, and J. G. Hou, “A Theoretical Study of Small Two-dimensional Gold Clusters”, Phys. Rev. B, 67, 085404, (2003)
2. Kedong Wang, Jin Zhao, Shangfeng Yang, Lan Chen, Qunxiang Li, Bing Wang, Shihe Yang, Jinlong Yang, J.G. Hou and Qingshi Zhu, “Unvelling Matel-Cage Hybrid States in a single Endohedral Matallofullerene”, Phys. Rev. Lett. 91, 185504 (2003)
3. Jin Zhao, Bin Miao, Liang Zhao, and J.G. Hou, “Electronic Transport Properties of Single C60 Molecules and Device Applications”, International Journal of Nanotechnology, 1, 157, (2004; invited)
4. Jin Zhao, Changgan Zeng, Xin Cheng, Kedong Wang, Guangwu Wang, Jinlong Yang, J.G. Hou and Qingshi Zhu, “Single C59N Molecule as a Molecular Rectifier”, Phys. Rev. Lett. 95, 045502 (2005)
5. Ken Onda, Bin Li, Jin Zhao, Kenneth D. Jordan, Jinlong Yang and Hrvoje Petek, “Wet Electrons at H2O/TiO2(110) Surface”, Science 308, 1154 (2005)
7. Jin Zhao, Bin Li, Kenneth D. Jordan, Jinlong Yang and Hrvoje Petek, “Interplay between Hydrogen Bonding and Electron Solvation on Hydrated TiO2(110)”, Phys. Rev. B 73, 195309 (2006)
8. Bin Li, Jin Zhao, Ken Onda, Kenneth D. Jordan, Jinlong Yang and Hrvoje Petek, “ Ultrafast interfacial proton-coupled electron transfer”, Science 331, 1436 (2006)
9. Jin Zhao, Bin Li, Ken Onda, Min Feng and Hrvoje Petek, “Solvated Electrons on Metal Oxide Surfaces”, Chem. Rev. 106, 4402 (2006)
10. Min Feng, Junseok Lee, Jin Zhao, John T. Yates Jr. and Hrvoje Petek, “Nanoscale Templating of Close-packed C60 Nanowires”, J . Am. Chem. Soc. 129, 12394 (2007)
11. Jin Zhao, Niko Pontius, Aimo Winklemann, Vahit Sametoglu, Atsushi Kubo, Andrei G. Borisov, Daniel Sanchez Portal, V. M. Silkin, Engene V. Chulkov, Pedro Echenique, and Hrvoje Petek, “ The electronic potential of a chemisorption interface ”, Phys. Rev. B, 78, 085419 (2008)
12. Andrei G. Borisov, Vahit Sametoglu, Aimo Winklemann, Atsushi Kubo, Niko Pontius, Jin Zhao, V. M. Silkin, J. P. Gauyacq, Engene V. Chulkov, Pedro Echenique, and Hrvoje Petek, “ The π resonance of chemisorbed alkali atoms on noble metals”, Phys. Rev. Lett. 101, 266801 (2008).
13. Min Feng, Jin Zhao and Hrvoje Petek, “ Atomlike, Hollow-Core-Bound Molecular Orbitals of C60”, Science, 320, 359 (2008)
14. Jin Zhao, Min Feng, Jinlong Yang and Hrvoje Petek, “The superatom states of fullerenes and their hybridization into the nearly free electron bands of fullerites”, ACS Nano, 3, 653 (2009).
15. Jin Zhao, Jinlong Yang and Hrvoje Petek, “A theoretical study of the molecular and electronic structure of methanol on rutile TiO2(110) surface”, Phys. Rev. B in press