Molecular Dynamics Study of Alkylsilane Monolayers on Realistic Amorphous Silica Surfaces

Langmuir ◽  
2015 ◽  
Vol 31 (10) ◽  
pp. 3086-3093 ◽  
Author(s):  
Jana E. Black ◽  
Christopher R. Iacovella ◽  
Peter T. Cummings ◽  
Clare McCabe
Keyword(s):  
Molecular Dynamics ◽  
Amorphous Silica ◽  
Silica Surfaces

scholarly journals Sodium diffusion through amorphous silica surfaces: A molecular dynamics study

2004 ◽  
Vol 120 (10) ◽  
pp. 4915-4920 ◽  
Author(s):  
Michaël Rarivomanantsoa ◽  
Philippe Jund ◽  
Rémi Jullien
Keyword(s):  
Molecular Dynamics ◽  
Amorphous Silica ◽  
Silica Surfaces ◽  
Sodium Diffusion

Reactive Molecular Dynamics Studies of DMMP Adsorption and Reactivity on Amorphous Silica Surfaces

2010 ◽  
Vol 114 (44) ◽  
pp. 18894-18902 ◽  
Author(s):  
Jason Quenneville ◽  
Ramona S. Taylor ◽  
Adri C. T. van Duin
Keyword(s):  
Molecular Dynamics ◽  
Amorphous Silica ◽  
Silica Surfaces ◽  
Reactive Molecular Dynamics

Structural stability and polarisation of ionic liquid films on silica surfaces

2015 ◽  
Vol 17 (27) ◽  
pp. 17661-17669 ◽  
Author(s):  
Filippo Federici Canova ◽  
Masashi Mizukami ◽  
Takako Imamura ◽  
Kazue Kurihara ◽  
Alexander L. Shluger
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulations ◽  
Structural Stability ◽  
Amorphous Silica ◽  
Liquid Films ◽  
Silica Surfaces ◽  
Dynamics Simulations ◽  
Solid Liquid Interface ◽  
Solid Liquid

Using molecular dynamics simulations, we studied the structure of [BMIM][NTF2] and [BMIM][BF4] liquid films on hydroxylated silica surfaces. The results pointed out that the main features of the solid–liquid interface were present on both crystalline and amorphous silica, and how these determine their electrostatic properties.

Complex Formation and Dissociation Dynamics on Amorphous Silica Surfaces

2021 ◽  
Author(s):  
Steven A. Yamada ◽  
Samantha T. Hung ◽  
Jae Yoon Shin ◽  
Michael D. Fayer
Keyword(s):  
Complex Formation ◽  
Amorphous Silica ◽  
Silica Surfaces ◽  
Dissociation Dynamics

Adhesion between Copper and Amorphous Silica: A Reactive Molecular Dynamics Study

2018 ◽  
Vol 122 (49) ◽  
pp. 28204-28214 ◽  
Author(s):  
Shingo Urata ◽  
Haruhiko Yoshino ◽  
Madoka Ono ◽  
Satoshi Miyasaka ◽  
Ryota Ando ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Amorphous Silica ◽  
Reactive Molecular Dynamics
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