Molecular Response of 1-Butyl-3-Methylimidazolium Dicyanamide Ionic Liquid at the Graphene Electrode Interface Investigated by Sum Frequency Generation Spectroscopy and Molecular Dynamics Simulations

2015 ◽  
Vol 119 (46) ◽  
pp. 26009-26019 ◽  
Author(s):  
Siyun Xu ◽  
Sirui Xing ◽  
Shin-Shem Pei ◽  
Vladislav Ivaništšev ◽  
Ruth Lynden-Bell ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulations ◽  
Sum Frequency Generation ◽  
Molecular Response ◽  
Sum Frequency ◽  
Graphene Electrode ◽  
Sum Frequency Generation Spectroscopy ◽  
Electrode Interface ◽  
Dynamics Simulations

The study of polythiophene/water interfaces by sum-frequency generation spectroscopy and molecular dynamics simulations

2015 ◽  
Vol 3 (31) ◽  
pp. 6429-6438 ◽  
Author(s):  
S. Bellani ◽  
M. Porro ◽  
C. Caddeo ◽  
M. I. Saba ◽  
P. B. Miranda ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Molecular Orientation ◽  
Sum Frequency Generation ◽  
Sum Frequency ◽  
Sum Frequency Generation Spectroscopy ◽  
Frequency Generation ◽  
Dynamics Simulations

Polythiophene/water interfaces are investigated by sum frequency generation spectroscopy and molecular dynamics simulations, showing a preferential edge-on molecular orientation.

Molecular Dynamics Simulations of Ether-Modified Phosphonium Ionic Liquid Confined in between Planar and Porous Graphene Electrode Models

2019 ◽  
Vol 123 (17) ◽  
pp. 10816-10825 ◽  
Author(s):  
Guilherme Ferreira Lemos Pereira ◽  
Rafael Guimarães Pereira ◽  
Mathieu Salanne ◽  
Leonardo José Amaral Siqueira
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulations ◽  
Porous Graphene ◽  
Graphene Electrode ◽  
Phosphonium Ionic Liquid ◽  
Dynamics Simulations
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