Education:

BS (1990),  Xiamen University

PhD (1996), Xiamen University    

Principal Research Interests:
Applied Quantum chemistry and Computational Chemistry: Theoretical Chemistry of Solid Surfaces, Xiamen UniversitySurfaces and Nano-Structural Systems.

Selected Recent Publications:

1. 1. “Dinitrogen-ligated Triaurum Cation, Aurodiazenylium, Auronitrenium, Auroammonia and Auroammonium”, X.-H. Liang, X. Wu, T. Dong, Z.-B. Qin, K. Tan, X. Lu*, Z.-C. Tang*, Angew. Chem., Int. Ed. 2011, 50, DOI:10.1002/anie.201007332

2. 2. “Simple Combustion Production and Characterization of Octahydro[60]fullerene with a Non-IPR C60 Cage”, Q.H. Weng, Q. He, T. Liu, H.-Y. Huang, Z.-Y. Gao, S.-Y. Xie*, X. Lu*, R.-B. Huang, L.-S. Zheng, J. Am. Chem. Soc., 2010, 132, 15093-15095

3. 3. “Chlorofullerenes Featuring Triple Sequentially Fused Pentagons”, Y.Z. Tan, J. Li, F. Zhu, X. Han, W.-S. Jiang, R.B. Huang, Z.-P. Zheng, Z.-Z. Qian, R.-T. Chen, Z.-J. Liao, S.-Y. Xie*, X. Lu*, L.-S. Zheng, Nature Chem.. 2010, 2, 269-273

4. 4. “NC Unit Trapped by Fullerenes: A Density Functional Theory Study on Sc3NC@C2n (2n=68, 78 and 80)”, P. Jin, Z. Zhou, C. Hao, Z.-X. Gao, K. Tan, X. Lu*, Z.-F. Chen*, Phys. Chem. Chem. Phys. 2010, 12,12442-12449 (Cover article)

5. 5. “Homoconjugation/Homoaromaticity in Main Group Inorganic Molecules”, Q. Zhang, S.-P. Yue, X. Lu*, Z.-F. Chen*, R.-B. Huang, L.-S. Zheng, P.v.R. Schleyer, J. Am. Chem. Soc. 2009, 131, 9789-9799.

6. 6. “Russian-Doll-Type Metal Carbide Endofullerene: Synthesis, Isolation, and Characterization of Sc4C2@C80”, T.-S. Wang, N. Chen, J.-F. Xiang, B. Li, J.-Y. Wu, W. Xu, L. Jiang, K. Tan, C.-Y. Shu*, X. Lu*, C.-R. Wang*, J. Am. Chem. Soc. 2009, 131, 16646-16647

7. 7. “Dimetallofullerene U2@C60 Has a U-U Multiple Bond Consisting of Sixfold One-Electron-Two-Center Bonds”, X. Wu, X. Lu*, J. Am. Chem. Soc. 2007, 129, 2171-2177

8. 8. “Mechanism for the Regioselective Asymmetric Addition of Grignard Reagents to Malimides: A Computational Exploration”, J.-L. Ye, P.-Q. Huang*, X. Lu*, J. Org. Chem. 2007, 72,35-42

9. 9. “Isolation and Characterization of Sc2C2@C68: the Smallest Metal-Carbide Endohedral Fullerene”, Z.-Q. Shi, X. Wu, C.-R. Wang*, X. Lu*, H. Shinohara, Angew. Chem. Int. Ed. 2006, 45, 2107-2111

10. 10. “Unprecedented C26- Anion in the Endofullerene Sc4C2@C80”, K. Tan, X. Lu*, C.-R. Wang, J. Phys. Chem. B 2006, 110, 11098-11102.

11. 11. “Ti2C80 is More Likely a Titanium Carbide Endohedral Metallofullerene (Ti2C2)@C78”, K. Tan, X. Lu*, Chem. Commun. 2005, 4444-4446.

12. 12. “Curved Pi-Conjugation and the Related Chemistry of Small Fullerenes ( smaller than C60) and Single-Wall Carbon Nanotubes”, X. Lu*, Z. Chen*, Chem. Rev., 2005, 105, 3643-3696.

13. 13. “Are the Stone-Wales Defects Always More Reactive than Perfect Sites in the Sidewalls of Single-Wall Carbon Nanotubes”, X. Lu*, Z. Chen*, Paul v. R. Schleyer, J. Am. Chem. Soc., 2005, 127, 20-21

14. 14. “Capturing the Labile Fullerene[50] as C50Cl10”, S.-Y. Xie, F. Gao, X. Lu, R.-B. Huang, C.-R. Wang, S.-L. Deng, X. Zhang, M.-L. Liu, L.-S. Zheng, Science, 2004, 304, 699

15. 15. “A Theoretical Exploration of the 1, 3-Dipolar Cycloadditions onto the Sidewalls of (n,n) Armchair Single-Wall Carbon Nanotubes”, X. Lu*, F. Tian, X. Xu, N. Wang, Q. Zhang, J. Am. Chem. Soc., 2003, 125, 10459-10464.

16. 16. “Diradical Mechanisms for the Cycloaddition Reactions of 1,3-butadiene, benzene, thiophene, ethylene and acetylene on Si(111)-7x7 Surface”, X. Lu*, X. Wang, Q. Yuan, Q. Zhang, J. Am. Chem. Soc., 2003, 125, 7923-7929.

17. 17. “Diradical Mechanism for the [2+2] Cycloaddition of Ethylene on Si(100) Surface”, X. Lu*, J. Am. Chem. Soc., 2003, 125, 6384-6385

18. 18. “Reactions of Some [C,N,O]-Containing Molecules with Silicon Surfaces: Experimental and Theoretical Studies”(Review), X. Lu*, M.-C. Lin, Int. Rev. Phys. Chem., 2002, 21, 137-184