# 振动光谱

##### 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.

## 出版物

### 15. In-Depth Investigation on THz Spectrum of 1-Butyl-3-Methylimidazolium Dicyanamide Spreading on Graphene Surface by Computational Calculation (Times cited = 0)

Dynamic THz spectrum change of [Bmim][DCA] nanodroplet spreading on graphene surface in the range from 30 to 300 cm$^{-1}$ is probed by computational calculation at 300 K.

### 14. Vibrational Spectrum of 1-Ethyl-3-Methylimidazolium Tetrafluoroborate on Graphene Surface (Times cited = 1)

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.

### 13. Atomistic Insight into Changes in the Vibrational Spectrum of Ionic Liquids under External Electric Field (Times cited = 0)

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.

### 5. Influence of External Electric Field on Vibrational Spectrum of Imidazolium-Based Ionic Liquids Probed by Molecular Dynamics Simulation (Times cited = 4)

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.