Quantifying anisotropic dielectric response properties of nanoconfined water within graphene slit pores

2020 ◽  
Vol 22 (19) ◽  
pp. 10833-10837 ◽  
Author(s):  
Sergi Ruiz-Barragan ◽  
Daniel Muñoz-Santiburcio ◽  
Saskia Körning ◽  
Dominik Marx
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Dielectric Response ◽  
Anisotropic Dielectric ◽  
Response Properties ◽  
Nanoconfined Water ◽  
Dynamics Simulations ◽  
Slit Pores

Water presents puzzling properties once it gets confined, in particular its dielectric response becomes highly anisotropic. Here, we analyze the dielectric response of water within graphene slit pores based on molecular dynamics simulations.

Molecular Dynamics Simulations of Water Confined in Calcite Slit Pores: An NMR Spin Relaxation and Hydrogen Bond Analysis

2017 ◽  
Vol 121 (12) ◽  
pp. 6674-6684 ◽  
Author(s):  
Sylvia M. Mutisya ◽  
Alexsandro Kirch ◽  
James M. de Almeida ◽  
Verónica M. Sánchez ◽  
Caetano R. Miranda
Keyword(s):  
Molecular Dynamics ◽  
Hydrogen Bond ◽  
Molecular Dynamics Simulations ◽  
Spin Relaxation ◽  
Nmr Spin Relaxation ◽  
Dynamics Simulations ◽  
Slit Pores ◽  
Hydrogen Bond Analysis
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