赵仪

2011年11月09日

教授
办公室:卢嘉锡楼203 
电话:2189197 
Email:yizhao@xmu.edu.cn
通讯地址:厦门大学固体表面物理化学国家重点实验室
个人简历
  • 厦门大学教授(2007 - )
  • 中国科学技术大学教授(2003 – 2007)
  • 日本分子科学研究所访问教授(2004 – 2005)
  • 美国加州大学伯克利分校博士后(2001 – 2003)
  • 美国伊利诺州立大学香槟分校博士后(2000 – 2001)
  • 德国柏林自由大学博士后(1998 - 2000)
  • 中科院大连化物所和香港科技大学博士(1997)
  • 四川大学硕士(1990)

 

研究兴趣
  • 复杂体系分子量子动力学;
  • 化学反应速率常数理论计算方法;
  • 电子转移和非绝热化学反应理论;
  • 超快激光分子相互作用理论。

 

主要代表论文
  1. Y. Zhao and W.Z. Liang, Non-Condon nature of fluctuating bridges on nonadiabatic electron transfer: analytical interpretation, J. Chem. Phys., 130, 034111(2009).
  2. Y. Zhao, W. Liang and H. Nakamura, Semiclassical Treatment of Thermally Activated Electron Transfer in the Intermediate to Strong Electronic Coupling Regime under the Fast Dielectric Relaxation, J. Phys. Chem. A, 113, 790(2009).
  3. G. Nan, L. Wang, X. Yang, Z. Shuai and Y. Zhao, Charge transfer rates in organic semiconductors beyond first-order perturbation: From weak to strong coupling regimes, J. Chem. Phys., 130, 024704(2009).
  4. G. Nan, X. Yang, L. Wang, Z. Shuai and Y. Zhao, Nuclear tunneling effects of charge transport in rubrene, tetracence and pentacene, Phys. Rev. B, 79,115203 (2009).
  5. W.J. Wang and Y. Zhao*, Path integral evaluation of H diffusion on Ni(100) surface based on the quantum instanton approximation, J. Chem. Phys., in press (2009).
  6. X. Chen, Y. Zhao and Z.X. Cao, Theoretical study on the dual fluorescence of 2-(4-cyanophenyl)-N,N-dimethylaminoethane and its deactivation pathway, J. Chem. Phys., accepted (2009).
  7. W.W. Zhang, W.J. Zhu, W.Z. Liang, Y. Zhao and S.F. Nelson, Ab initio calculations on the intra-molecular electron transfer rates of a Bis(hydrazine) radical cation, J. Phys. Chem. B, 112, 11079, 2008.
  8. Wenjuan Zhu and Yi Zhao, Effects of anharmonicity on diffusive-controlled symmetric electron transfer rates: From the weak to the strong electronic coupling regions. J. Chem. Phys., 129, 184111, (2008).
  9. Y. Zhao, Density matrix analysis and simulation of electronic dynamics in multiple-bridged donor/acceptor molecules under dissipative environments. J. Theo. Comp. Chem., 7, 869(2008).
  10. J. Sun, J. Liu W.Z. Liang and Y. Zhao, Real-time propagation of the reduced one-electron density matrix in atom centered orbitals: application to multielectron dynamics of Carbon cluster Cn in the strong laser pulses, J. Phys. Chem. A, 112, 10422, 2008.
  11. Z.Y. Guo, W.Z. Liang, Y. Zhao and G.H. Chen, Real-Time Propagation of the Reduced One-Electron Density Matrix in Atom-Centered Orbitals: Application to Electron Injection Dynamics in Dye-Sensitized TiO2 Clusters, J. Phys. Chem. C, 112, 16655(2008).
  12. Y. Zhao and W.J. Wang, Chapter ten, Quantum Instanton Approximation for Chemical Reactions in Principle and Application of Theoretical Chemistry, 2008, Beijing.
  13. W.J. Zhu and Y. Zhao, Quantum effect of intramolecular high-frequency vibrational modes on diffusion-controlled electron transfer rate: From the weak to the strong electronic coupling regions, J. Chem. Phys., 126, 184105(2007).
  14. Yi Zhao, M.M. Han and W.Z. Liang, Semiclassical Treatment of Thermally Activated Electron Transfer in the Inverted Region under the Fast Dielectric Relaxation, J. Phys. Chem., A, 111, 2047(2007).
  15. S.F. Nelsen, A.E. Konradsson, M.N. Weaver, R.M. Stephenson , J.V. Lockard, J.I. Zink and Y. Zhao, Comparisons of measured rate constants with spectroscopically determined electron-transfer parameters, J. Phys. Chem. B, 111, 6776(2007).
  16. M.M. Han, Y. Zhao and W.Z. Liang, Theoretical study on the excited states of rotational isomers of pyridinecarboxaldehyde vapors, J. Mol. Structure-Theochem, 819, 13(2007).
  17. W.J. Zhu, M.M. Han and Y. Zhao, Electron transfer dynamics in solution using imaginary-time split operator approach, Chin. J. Chem. Phys., 20, 217(2007).
  18. F. Gao F, Y. Zhao and W.Z. Liang, Theoretical studies toward understanding the excited state dynamics of a bichromophoric molecule, J. Chem. Phys., 126, 224509(2007).
  19. Y.Zhao, W.Z. Liang, Quantum Kramers-like theory of electron transfer rate from weak-to-strong electronic coupling regions., Phys. Rev. A., 74,032706 (2006).
  20. Y. Zhao, X. Li, Z. Zheng and W. Liang, Semiclassical calculation of nonadiabatic thermal rate constants: application to condensed phase reactions, J. Chem. Phys., 124, 114508 (2006).
  21. W. Liang, Y. Zhao, J. Sun, J. Song, S. Hu, J. Yang, Electronic Excitation of Polyfluorenes: A Theoretical Study, J. Phys. Chem. B, 110, 9908 (2006).
  22. Y. Zhao, W.Z. Liang, H. Nakamura, Semiclassical Treatment of Thermally Activated Electron Transfer in the Intermediate to Strong Electronic Coupling Regime under the Fast Dielectric Relaxation, J. Phys. Chem. A., 110, 8204 (2006).
  23. Y. Zhao and H. Nakamura, Electron transfer rate uniformly valid from nonadiabatic to adiabatic regime beased on Zhu-Nakamura theory, J. Theo. Comp. Chem., 5, 1 (2006).
  24. J. Song, W. Liang, Yi Zhao, and J. Yang, Conformational Flexibility and Its Effect on the Vibrationally-resolved Absorption and Fluorescence Spectra of Oligofluorenes, Appl. Phys. Lett., 89, 071917 (2006).
  25. Y. Zhao and G. Milnikov, Electron transfer rate in the Marcus inverted regime beyond the perturbation theory, Chem. Phys. Lett., 413, 362 (2005).
  26. W. Liang, Y. Zhao and M. Head-Gordon, An efficient approach for self-consistent-field energy and energy second derivatives in the atomic-orbital basis, J. Chem. Phys., 123, 194106 (2005).
  27. Y. Zhao, G. Milnikov and H. Nakamura, Evaluation of canonical and microcanonical nonadiabatic reaction rate constants by using Zhu-Nakamura formulas, J. Chem. Phys., 121,8854 (2004).
  28. Yi Zhao, Takeshi Yamamoto and William H. Miller, Path integral calculation of thermal rate constants within the quantum instanton approximation: Application to the H+CH4 →H2+CH3 hydrogen abstraction reaction in full Cartesian space, J. Chem. Phys., 120, 3100 (2004).