Vibrational Spectrum

Yongji Guan
Postdoc Research Fellow

Yongji Guan is currently a postdoc research fellow of Physical chemistry who specializes in the theoretical caculation of ionic liquids.


The influence of the graphene on the vibrational spectrum of [Emim][BF$_{4}$] pair in the range from 10 to 3500 cm$^{-1}$ is systemically investigated using density functional theory.

The vibrational spectrum of [Emim][PF$_{6}$] under an external electric field ranging from 0 to 10 V nm$^{-1}$ is exploring by molecular dynamics simulations at 350 K.

Influence of external electric field on the vibrational spectra of EMIMPF$_{6}$ in range from 0 to 4000 cm$_{-1}$ is probed by molecular dynamics simulation at 350 K.