All Stories

  1. Phonon-mediated ultrafast energy- and momentum-resolved hole dynamics in monolayer black phosphorus

    Article • The Journal of Chemical Physics, March 2024, American Institute of Physics

    Yi Zhao

  2. Diagrammatic quantum Monte Carlo toward the calculation of transport properties in disordered semiconductors

    Article • The Journal of Chemical Physics, May 2022, American Institute of Physics

    Yi Zhao

  3. Effect of charge-transfer states on the vibrationally resolved absorption spectra and exciton dynamics in ZnPc aggregates: Simulations from a non-Makovian stochastic Schrödinger equation

    Article • The Journal of Chemical Physics, July 2020, American Institute of Physics

    Yi Zhao

  4. Collaborative effect of plasmon-induced resonance energy and electron transfer on the interfacial electron injection dynamics of dye-sensitized solar cell

    Article • The Journal of Chemical Physics, July 2019, American Institute of Physics

    Yi Zhao

  5. Non-Markovian stochastic Schrödinger equation in k-space toward the calculation of carrier dynamics in organic semiconductors

    Article • The Journal of Chemical Physics, July 2019, American Institute of Physics

    Yi Zhao

  6. Nuclear quantum tunnelling and carrier delocalization effects to bridge the gap between hopping and bandlike behaviors in organic semiconductors

    Article • Nanoscale Horizons, January 2016, Royal Society of Chemistry

    Yi Zhao

  7. Effect of TiO2particles on normal and resonance Raman spectra of coumarin 343: a theoretical investigation

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Yi Zhao

  8. Theoretical study of photo-physical properties of indolylmaleimide derivatives

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Yi Zhao, Shinkoh NANBU

  9. Charge transfer in organic molecules for solar cells: theoretical perspective

    Article • Chemical Society Reviews, January 2012, Royal Society of Chemistry

    Yi Zhao

  10. Quantum instanton calculation of rate constants for the C2H6 + H → C2H5 + H2 reaction: anharmonicity and kinetic isotope effects

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Yi Zhao