Yi Zhao

Summary

Affiliation: Xiamen University
Country: China

Publications

  1. doi request reprint Theoretical study of photo-physical properties of indolylmaleimide derivatives
    Zilong Zheng
    Department of Chemical Physics, University of Science and Technology of China, Hefei, 230026, P R China
    Phys Chem Chem Phys 14:3017-24. 2012
  2. ncbi request reprint Theoretical investigation of resonance Raman scattering of dye molecules absorbed on semiconductor surfaces
    Yi Zhao
    State Key Laboratory for Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, People s Republic of China
    J Chem Phys 135:044108. 2011
  3. ncbi request reprint Charge transfer in organic molecules for solar cells: theoretical perspective
    Yi Zhao
    State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, 361005, PR China
    Chem Soc Rev 41:1075-87. 2012
  4. doi request reprint Vibronic spectra of perylene bisimide oligomers: effects of intermolecular charge-transfer excitation and conformational flexibility
    Fang Gao
    Hefei National Laboratory for Physical Science at Microscale, Department of Chemical Physics, University of Science and Technology of China, Hefei, P R China
    J Phys Chem B 115:2699-708. 2011
  5. ncbi request reprint Theoretical Investigations of Spin-Orbit Coupling and Kinetics in Reaction W + NH(3) → N≡WH(3)
    Yubing Si
    State Key Laboratory for Physical Chemistry of Solid Surfaces and Fujian Provincial Key Lab of Theoretical and Computational Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, People s Republic of China
    J Phys Chem A 116:2583-90. 2012
  6. doi request reprint Theoretical studies on absorption, emission, and resonance Raman spectra of Coumarin 343 isomers
    Wenpeng Wu
    State Key Laboratory for Physical Chemistry of Solid Surfaces and Fujian Provincial Key Lab of Theoretical and Computational Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, People s Republic of China
    J Chem Phys 136:114305. 2012
  7. doi request reprint Effect of group electronegativity on electron transfer in bis(hydrazine) radical cations
    Haimei Qin
    State Key Laboratory of Physical Chemistry of Solid Surfaces, and College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, 361005, People s Republic of China
    J Phys Chem A 115:3116-21. 2011
  8. ncbi request reprint Charge carrier dynamics in phonon-induced fluctuation systems from time-dependent wavepacket diffusion approach
    Xinxin Zhong
    State Key Laboratory of Physical Chemistry of Solid Surfaces, and Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, 361005, People s Republic of China
    J Chem Phys 135:134110. 2011

Collaborators

Detail Information

Publications8

  1. doi request reprint Theoretical study of photo-physical properties of indolylmaleimide derivatives
    Zilong Zheng
    Department of Chemical Physics, University of Science and Technology of China, Hefei, 230026, P R China
    Phys Chem Chem Phys 14:3017-24. 2012
    ..Finally, the monovalent anions I((-))M-Br and I((-))M by a deprotonation of the indole NH end and the neutral IS were proposed to be the most feasible candidates corresponding to the experimental spectra in solution...
  2. ncbi request reprint Theoretical investigation of resonance Raman scattering of dye molecules absorbed on semiconductor surfaces
    Yi Zhao
    State Key Laboratory for Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, People s Republic of China
    J Chem Phys 135:044108. 2011
    ..The corresponding electron dynamics is revealed by the population decay from the absorbed molecule...
  3. ncbi request reprint Charge transfer in organic molecules for solar cells: theoretical perspective
    Yi Zhao
    State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, 361005, PR China
    Chem Soc Rev 41:1075-87. 2012
    ..Finally, we discuss the electronic structure theory for calculations of the electronic coupling and reorganization energy that are two key parameters in charge transfer, and show several applications...
  4. doi request reprint Vibronic spectra of perylene bisimide oligomers: effects of intermolecular charge-transfer excitation and conformational flexibility
    Fang Gao
    Hefei National Laboratory for Physical Science at Microscale, Department of Chemical Physics, University of Science and Technology of China, Hefei, P R China
    J Phys Chem B 115:2699-708. 2011
    ..As for J-aggregated PBI oligomers, the interactions of FEs induce the red-shift and the increase of the relative intensity of 0-0 peak of the absorption spectra with more aggregated units...
  5. ncbi request reprint Theoretical Investigations of Spin-Orbit Coupling and Kinetics in Reaction W + NH(3) → N≡WH(3)
    Yubing Si
    State Key Laboratory for Physical Chemistry of Solid Surfaces and Fujian Provincial Key Lab of Theoretical and Computational Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, People s Republic of China
    J Phys Chem A 116:2583-90. 2012
    ..Finally, we suggest a feasible reaction pathway with exothermicity 72.8 kcal/mol, which is consistent with the experimental measurements...
  6. doi request reprint Theoretical studies on absorption, emission, and resonance Raman spectra of Coumarin 343 isomers
    Wenpeng Wu
    State Key Laboratory for Physical Chemistry of Solid Surfaces and Fujian Provincial Key Lab of Theoretical and Computational Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, People s Republic of China
    J Chem Phys 136:114305. 2012
    ..The detailed spectra are further analyzed for the identification of the conformers and understanding the potential charge transfer mechanism in their photovoltaic applications...
  7. doi request reprint Effect of group electronegativity on electron transfer in bis(hydrazine) radical cations
    Haimei Qin
    State Key Laboratory of Physical Chemistry of Solid Surfaces, and College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, 361005, People s Republic of China
    J Phys Chem A 115:3116-21. 2011
    ..Furthermore, Marcus formula is employed to reveal those effect on the electron transfer rates. The predicted rates of electron transfer generally decrease with increasing group electronegativity, although not monotonically...
  8. ncbi request reprint Charge carrier dynamics in phonon-induced fluctuation systems from time-dependent wavepacket diffusion approach
    Xinxin Zhong
    State Key Laboratory of Physical Chemistry of Solid Surfaces, and Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, 361005, People s Republic of China
    J Chem Phys 135:134110. 2011
    ..Besides, the approach can easily be applied to systems having thousands of sites, which allows one to investigate charge transport in nanoscale organic crystals...