Evaluation of the work of adhesion at the interface between a surface-modified metal oxide and an organic solvent using molecular dynamics simulations

2021 ◽  
Vol 154 (11) ◽  
pp. 114703
Author(s):  
Takamasa Saito ◽  
Eita Shoji ◽  
Masaki Kubo ◽  
Takao Tsukada ◽  
Gota Kikugawa ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Metal Oxide ◽  
Organic Solvent ◽  
Molecular Dynamics Simulations ◽  
Work Of Adhesion ◽  
Dynamics Simulations ◽  
Surface Modified

Analysis of the effect of organic solvent–sheet interfacial interaction on the exfoliation of sulfur-doped reduced graphene oxide sheets in a solvent system using molecular dynamics simulations

2020 ◽  
Vol 22 (36) ◽  
pp. 20665-20672
Author(s):  
Yuna Oh ◽  
Hoi Kil Choi ◽  
Hana Jung ◽  
Jeong-Un Jin ◽  
Young-Kwan Kim ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Graphene Oxide ◽  
Organic Solvent ◽  
Molecular Dynamics Simulations ◽  
Reduced Graphene Oxide ◽  
Solvent System ◽  
Interfacial Interaction ◽  
Reduced Graphene ◽  
Dynamics Simulations ◽  
Graphene Oxide Sheets

In this study, the effect of interfacial interaction between solvent and sheets on the exfoliation of sulfur-doped reduced graphene oxide (SrGO) sheets was studied, using molecular dynamics simulations.

scholarly journals Influence of polarizability on metal oxide properties studied by molecular dynamics simulations

2012 ◽  
Vol 24 (48) ◽  
pp. 485401 ◽  
Author(s):  
Philipp Beck ◽  
Peter Brommer ◽  
Johannes Roth ◽  
Hans-Rainer Trebin
Keyword(s):  
Molecular Dynamics ◽  
Metal Oxide ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations

scholarly journals Calculation of the work of adhesion of polyisoprene on graphite by molecular dynamics simulations

2019 ◽  
Vol 18 (2-3) ◽  
pp. 140-149
Author(s):  
M. Chiricotto ◽  
G. Giunta ◽  
H. A. Karimi-Varzaneh ◽  
P. Carbone
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Work Of Adhesion ◽  
Dynamics Simulations
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