中文

Personnel

Xin LU

Posted：2011-11-09  Visits：
Professor
Office: Chemistry Building 236　
Tel: 2181600　
Email: xinlu@xmu.edu.cn
Address: State Key Laboratory of Physical Chemistry of Solid Surfaces
Group Homepage: http://pcss.xmu.edu.cn/old/users/xlu/group/index.html

Brief Introduction

  • B.Sc., Xiamen University (1990)

  • Ph.D., Xiamen University (1996)

  • Visiting Fellow, Emerson Center for Scientific Computation, Emory University(1999-2000)

  • Professor, Xiamen University (2002-)

  • MinJiang-Scholar Professor, Xiamen University (2006-)

  • Visiting Professor, Institute for Molecular Science, National Institutes for Natural Science, Okazaki, Japan(2006,7-9)

 

Research Interests

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

 

Representative Publications

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

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

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

  4. X. Lu*, Z. Chen*, Paul v. R. Schleyer, W. Thiel, R. B. Huang, L. S. Zheng, Properties of fullerene[50] and D5h decachlorofullerene[50]: A Computational Study, J. Am. Chem. Soc., 126, 14871-14878, (2004).

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

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

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

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  9. X. Lu*, Q. Yuan, Q. Zhang, Sidewall-Epoxidation of Single-Walled Carbon Nanotubes:A Theoretical Prediction. Org. Lett., 5, 3527-3530 (2003).

  10. L.S. Long, X. Lu*, F. Tian, Q. Zhang, Hydroboration of C(100) Surface, Fullerene, and the Sidewalls of Single-wall Carbon Nanotubes with Borane, J. Org. Chem. 68, 4495-4498 (2003).

  11. X. Lu*, F. Tian, Q. Zhang, The [2+1] Cycloadditions of dichlorocarbene, Silylene, Germylene and Oxycarbonylnitrene onto the Sidewall of Armchair (5,5) Single-Wall Carbon Nanotube, J. Phys. Chem. B, 107, 8388-8391 (2003).

  12. X. Lu*, Z. Su, X. Xu, N. Wang, Q. Zhang, The Chemistry of HN3 on Ge(100)-2x1: A Theoretical Study, Chem. Phys. Lett., 371, 172-177 (2003).

  13. X. Lu*, F. Tian, Y.B. Feng, X. Xu, N. Wang, Q. Zhang, Sidewall oxidation and complexation of carbon nanotubes by base-catalyzed cycloadditions of transition metal oxide: A theoretical prediction. Nano Lett., 2, 1325-1327 (2002).

  14. X. Lu*, M.C. Lin, Reactions of Some [C,N,O]-Containing Molecules with Silicon Surfaces: Experimental and Theoretical Studies (Invited Review), International Reviews in Physical Chemistry 21, 137-184 (2002).

  15. X. Lu* F. Tian, N. Wang, Q. Zhang, Organic Functionalization of the Sidewalls of Single-Wall Carbon Nanotubes by Diels-Alder Reactions: A Theoretical Prediction. Org. Lett., 4, 4313-4315 (2002).

  16. X. Lu*, X. Xu, N. Wang, Q. Zhang, A DFT Study of the 1,3-Dipolar Cycloadditions on the C(100)-2x1 Surface. J. Org. Chem., 67, 515-520 (2002).

  17. I> 106, 2136-2139 (2002).

  18. X. Lu*, X. Xu, N. Wang, Q. Zhang, Functionalization of the C(100)-2x1 Surface by 1,3-Dipolar Cycloadditions: A Theoretical Prediction. J. Phys. Chem. B, 106, 5972-5974 (2002).

  19. X. Lu*, X. Xu, N. Wang, Q. Zhang, Chemisorption of Acetonitrile, Pyridine and Pyrazine on the Si(100)-2x1 Surface: Theoretical Predictions. New J. Chem., 26, 160-164 (2002).

  20. X. Lu*, Q. Zhang, M.C. Lin, Adsorptions of Methanol, Formaldehyde and Formic Acid on the Si(100)-2x1 Surface: A Theoretical Study. Phys. Chem. Chem. Phys., 3, 2156 (2001).

  21. X. Lu*, X. Xu, N. Wang, Q. Zhang, M.C. Lin, Chemisorption and Decomposition of Thiophene and Furan on the Si(100)-2x1 Surface: A Theoretical Study, J. Phys. Chem. B, 105, 10069 (2001).

  22. X. Lu*, X. Xu, N. Wang, Q. Zhang, Chemisorption of CO at Strongly Basic Sites of MgO Solid: A Theoretical Study, J. Phys. Chem. B, 104, 10024 (2000).

  23. X. Lu, X. Xu*, N. Wang, Q.Zhang, NO Adsorption and Decomposition on MgO Catalyst: A Quantum Chemical Study, J. Phys. Chem. B, 103, 5657 (1999).

  24. X. Lu, X. Xu*, N. Wang, Q. Zhang, N2O Decomposition on MgO and Li/MgO Catalysts: A QuantumChemical Study, J. Phys. Chem. B, 103, 3373 (1999).

  25. X. Lu, X. Xu*, N. Wang, Q. Zhang, Bondings of NO2 to Au Atom and to Au(111) Surface: A Quantum Chemical Study,J. Phys. Chem. A, 103, 10969 (1999).