Room 211, 3231 Walnut Street
Philadelphia, PA 19104
 E-mail: liangqi@seas.upenn.edu
  • University of Pennsylvania Philadelphia, PA
       Department of Materials Science and Engineering (2007-2009) Ph.D.

  • Ohio State University Columbus, OH
       Department of Materials Science and Engineering (2003-2007) M.S.

  • Tsinghua University Beijing, P.R.C.
       Department of Materials Science and Engineering (1999-2003) B.E. 

Theoretical and computational materials science. Surface chemistry and catalysis for energy conversion
and environmental applications. Electronic structures, transport and mechanical properties
of nanostructured materials.


Postdoctoral Researcher, Supervisor: Prof. Ju Li 2009.9
Materials theory group, University of Pennsylvania
Graduate Research Assistant, Supervisor: Prof. Ju Li 2003.92009.8
Materials theory group, Ohio State University (2003.92007.9) and University of Pennsylvania
•Multiscale modeling of electrocatalysis in PEM fuel cell.
•Theoretical study of graphene.
•Density functional theory study of DeNOx catalysts.
•Atomic modeling of mechanical properties of materials.
•Kinetic Monte Carlo simulation on titania nanofiber formation.
Research Assistant, Supervisor: Prof. Changan Wang 2003.12003.7
State Key Laboratory of New Ceramics and Fine Processing, Tsinghua University
•Synthesis of pure ternary carbide Ti3AlC2 powder.
Research Assistant, Supervisor: Prof. Heping Zhou 2002.12002.12
State Key Laboratory of New Ceramics and Fine Processing, Tsinghua University
•Low-temperature sintering of aluminum nitride ceramics.

9. L. Qi, J-Y. Huang, J. Feng and J. Li, “In-situ observations of the nucleation and growth of
atomically sharp graphene bilayer edges”, Carbon 48 (2010) 2354-2360.
8. J-Y. Huang, L. Qi and J. Li, “In-situ imaging layer-by-layer sublimation of suspended graphene”,
Nano Research 3 (2010) 43.
7. J. Feng, L. Qi, J-Y. Huang and J. Li, “Geometric and Electronic Structures of Graphene
Bilayer Edges”, Phys. Rev. B 80 (2009) 165407.
6. J-Y. Huang, D. Feng, B. I. Yakobson, P. Lu, L. Qi, and J. Li, “In-situ observation of graphene
sublimation and multi-layer edge reconstructions: genesis of interconnected carbon nanostructures”,
Proc. Natl. Acad. Sci. 106 (2009) 10103-10108.
5. X-F. Qian, J. Li, L. Qi, C-Z.Wang, T-L. Chan, Y-X. Yao, K-M. Ho and S. Yip, “Quasiatomic
orbitals for ab initio tight-binding analysis”, Phys. Rev. B 78 (2008) 245112.
4. L. Qi, X-F. Qian and J. Li, “Near-neutrality of oxygen molecule adsorbed on Pt(111) surface”,
Phys. Rev. Lett. 101 (2008) 146101.
3. L. Qi, J-G. Yu and J. Li, “Coverage dependence and hydroperoxyl-mediated pathway of
catalytic water formation on Pt (111) surface”, J. Chem. Phys. 125 (2006) 054701.
2. C-A.Wang, A-G. Zhou, L. Qi, Y. Huang, “Quantitative phase analysis in the Ti-Al-C ternary
system by X-ray diffraction”, Powder Diffraction 20 (2005) 218.
1. C-A. Wang, L. Qi, A-G. Zhou, Y. Huang, “Fabrication of Ti3AlC2 powder by pressureless
synthesis method”, Rare Metal Materials and Engineering 32 (2003) 607 Suppl. 1.


8. “Multiscale Modeling of Electrocatalysis for PEM fuel cell”, 2009 Materials Research Society
Fall Meeting, Boston, MA, Dec 1, 2009.
7. “First-principles studies of long-period structures (LPS) in Mg alloys”, 10th U.S. National
Congress for Computational Mechanics, Columbus, OH, July, 2009.
6. “Electronic structure of intermediates in oxygen reduction reaction on Pt electrode”, American
Chemical Society, 237nd National Meeting & Exposition, Salt Lake City, UT, Mar 25,
5. “First Principles studies of Pt electrode in PEM fuel cell”, 37th Seminar on Mechanical
Science and Bioengineering, Graduate School of Engineering Science, Osaka University,
Osaka, Japan, October 3, 2008.
4. ‘First-principles studies of surface oxide formation on Pt electrode”, American Chemical
Society, 236nd National Meeting & Exposition, Philadelphia, PA, Aug 20, 2008.
3. “Reaction path of water formation on Pt(111) surface under UHV condition and alloying
effects”, American Chemical Society, 232nd National Meeting & Exposition, San Francisco,
CA USA, Sep 13, 2006.
2. “DFT modeling of nanoclusters for PEM fuel cell”, 2005 Materials Research Society Fall
Meeting, Boston, MA, Nov 29, 2005.
1. “Hydronium on Pt (111) surface and their roles in O2 reduction”, American Chemical Society,
230nd National Meeting & Exposition, Washington, D. C., Aug. 29, 2005.


Visiting Researcher
Fundamental Technology Research Center, Honda R&D Co., Ltd., Wako-shi, Saitama, Japan.
Project:”Theoretical study of long-period structures in Mg alloys” 2008.92008.10
Builder of
16-CPU 64-bit high-performance parallel computing PC cluster at OSU 2006.10
14-CPU Gigabit high-performance parallel computing PC cluster at OSU 2003.12


Excellent graduate student (top 10%), Tsinghua University, 2003.7
First class scholarship for academic excellence, Tsinghua University, 2002.10