Molecular simulation insights on the in vacuo adsorption of amino acids on graphene oxide surfaces with varying surface oxygen densities

2016 ◽  
Vol 18 (11) ◽  
Author(s):  
Farzin Rahmani ◽  
Sasan Nouranian ◽  
Mina Mahdavi ◽  
Ahmed Al-Ostaz
Keyword(s):  
Amino Acids ◽  
Graphene Oxide ◽  
Molecular Simulation ◽  
Oxide Surfaces ◽  
Surface Oxygen

Trends of amino acid adsorption onto graphene and graphene oxide surfaces: a dispersion corrected DFT study

RSC Advances ◽  
2015 ◽  
Vol 5 (113) ◽  
pp. 92843-92857 ◽  
Author(s):  
H. Tavassoli Larijani ◽  
M. Darvish Ganji ◽  
M. Jahanshahi
Keyword(s):  
Amino Acids ◽  
Graphene Oxide ◽  
Amino Acid ◽  
Adsorption Properties ◽  
Dft Study ◽  
Oxide Surfaces ◽  
First Principle ◽  
First Principle Calculations

First-principle calculations based on DFT were performed to investigate the adsorption properties of amino acids onto graphene surfaces.

Layered graphene oxide membranes functioned by amino acids for efficient separation of metal ions

2021 ◽  
Vol 546 ◽  
pp. 149145
Author(s):  
Bo Zheng ◽  
Xianxian Chu ◽  
Han Li ◽  
Xiuli Wu ◽  
Xin Zhao ◽  
...  
Keyword(s):  
Amino Acids ◽  
Graphene Oxide ◽  
Metal Ions ◽  
Separation Of Metal Ions ◽  
Efficient Separation ◽  
Oxide Membranes ◽  
Graphene Oxide Membranes

scholarly journals Deformation twinning and the role of amino acids and magnesium in calcite hardness from molecular simulation

2015 ◽  
Vol 17 (31) ◽  
pp. 20178-20184 ◽  
Author(s):  
A. S. Côté ◽  
R. Darkins ◽  
D. M. Duffy
Keyword(s):  
Molecular Dynamics ◽  
Amino Acids ◽  
Molecular Simulation ◽  
Elastic Properties ◽  
Deformation Twinning ◽  
Pure Crystal ◽  
Classical Molecular Dynamics ◽  
Deformation Twins

We employ classical molecular dynamics to calculate elastic properties and to model the nucleation and propagation of deformation twins in calcite, both as a pure crystal and with magnesium and aspartate inclusions.

Influence of surface oxygen clusters upon molecular stacking of paclitaxel over graphene oxide sheets

2020 ◽  
Vol 116 ◽  
pp. 111232 ◽  
Author(s):  
Rahul Patil ◽  
Harsh Patel ◽  
Sharad B. Pillai ◽  
Prafulla K. Jha ◽  
Pratap Bahadur ◽  
...  
Keyword(s):  
Graphene Oxide ◽  
Surface Oxygen ◽  
Graphene Oxide Sheets ◽  
Molecular Stacking

scholarly journals The Formation and Self-Assembly of Long Prebiotic Oligomers Produced by the Condensation of Unactivated Amino Acids on Oxide Surfaces

2014 ◽  
Vol 126 (18) ◽  
pp. 4759-4762 ◽  
Author(s):  
Gianmario Martra ◽  
Chiara Deiana ◽  
Yuriy Sakhno ◽  
Ilvis Barberis ◽  
Marco Fabbiani ◽  
...  
Keyword(s):  
Amino Acids ◽  
Self Assembly ◽  
Oxide Surfaces
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