Kaito Takahashi

Theoretical Reaction Dynamics Lab

Publications

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2013
Morita, M, Takahashi K.  2013.  Multidimensional local mode calculations for the vibrational spectra of OH-(H2O)2 and OH-(H2O)2•Ar. Physical Chemistry Chemical Physics. 15:14973-14985.
Morita, M, Takahashi K.  2013.  Multidimensional OH local mode calculations for OH-(H2O)3 ~ Importance of intermode anharmonicity ~. Physical Chemistry Chemical Physics . 15:114-124.
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Recent Publications

  • Controlling C–C coupling reactivity through pore shape engineering of B-doped graphyne family
  • “Origin of strong CO binding and low C-C coupling barrier for ethanol synthesis on non-metal doped graphyne: Bond order conservation and flexible orbital hybridization
  • Synergic Cooperation of Ni, Mn and N-vacancy in Graphitic Carbon Nitride Sheets for Boosting Carbon Dioxide Electrochemical Reduction to Ethanol
  • Understanding the interaction between transition metal doping and ligand atoms of ZnS and ZnO monolayers to promote CO2 reduction reaction
  • Vibrational Spectrum of a 1D Oscillator: The Quantum, the Wigner, and the Classical Ways
  • PEG-stabilized coaxial stacking of two-dimensional covalent organic frameworks for enhanced photocatalytic hydrogen evolution
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