Dergi
/
Kimya
/
N719-色光/钛合金界面的振动光谱，来自经验-电位分子动力学模拟，由室温离子液体解低
JoVE Journal
Kimya
Bu içeriği görüntülemek için JoVE aboneliği gereklidir.  Oturum açın veya ücretsiz deneme sürümünü başlatın.
JoVE Journal Kimya
Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
Please note that all translations are automatically generated. Click here for the English version.

N719-色光/钛合金界面的振动光谱，来自经验-电位分子动力学模拟，由室温离子液体解低

5,520 Views

•

08:54 min

•

January 25, 2020

DOI:

10.3791/60539-v

DOI:
10.3791/60539-v

•

08:54 min
January 25, 2020

•

1 Views
, ,
1School of Chemical and Bioprocess Engineering,University College Dublin, Belfield

Özet

Automatically generated

染料敏化太阳能电池由RTL溶解;利用优化的经验电位，应用分子动力学模拟计算振动特性。将所得振动光谱与实验和abinitio分子动力学进行了比较;各种经验电位光谱显示了离子液体的偏电荷电荷参数化如何影响振动光谱预测。

Explore More Videos

Molecular DynamicsDye-sensitized Solar CellIonic LiquidTitaniaForce FieldGeometry OptimizationEwald MethodLennard-Jones ParametersVibrational Spectra

Read Article

Cite this Article

Krishnan, Y., Byrne, A., English, N. J. Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid. J. Vis. Exp. (155), e60539, doi:10.3791/60539 (2020).

Download .ris file

Copy

Share Video

.

Copy