Construction of highly anti-corrosion and super-hydrophobic polypropylene/graphene oxide nanocomposite coatings on carbon steel: Experimental, electrochemical and molecular dynamics studies

The effect of the ionic environment on membrane fouling was investigated for polyamide (PA) and graphene oxide (GO) membranes using equilibrium molecular dynamics (MD) simulations.

Download Full-text

DFT Calculations and Molecular Dynamics Simulation Study on the Adsorption of 5-Fluorouracil Anticancer Drug on Graphene Oxide Nanosheet as a Drug Delivery Vehicle

Journal of Inorganic and Organometallic Polymers and Materials ◽

10.1007/s10904-017-0525-9 ◽

2017 ◽

Vol 27 (3) ◽

pp. 805-817 ◽

Cited By ~ 30

Author(s):

Fatemeh Safdari ◽

Heidar Raissi ◽

Mahnaz Shahabi ◽

Maryam Zaboli

Keyword(s):

Drug Delivery ◽

Molecular Dynamics ◽

Graphene Oxide ◽

Molecular Dynamics Simulation ◽

Dft Calculations ◽

Anticancer Drug ◽

Simulation Study ◽

Dynamics Simulation ◽

Delivery Vehicle ◽

Graphene Oxide Nanosheet

Download Full-text

Electrophoretic deposition of graphene oxide on mild carbon steel for anti-corrosion application

Surface and Coatings Technology ◽

10.1016/j.surfcoat.2014.06.007 ◽

2014 ◽

Vol 254 ◽

pp. 167-174 ◽

Cited By ~ 96

Author(s):

Ji Hoon Park ◽

Jong Myung Park

Keyword(s):

Graphene Oxide ◽

Carbon Steel ◽

Electrophoretic Deposition ◽

Mild Carbon Steel

Download Full-text

Experimental and molecular dynamics study of graphene oxide quantum dots interaction with solvents and its aggregation mechanism

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.116136 ◽

2021 ◽

pp. 116136

Author(s):

V.R. Jauja-Ccana ◽

Allison V. Cordova Huaman ◽

Gustavo T. Feliciano ◽

Adolfo La Rosa Toro

Keyword(s):

Molecular Dynamics ◽

Quantum Dots ◽

Graphene Oxide ◽

Aggregation Mechanism ◽

Graphene Oxide Quantum Dots

Download Full-text

The theoretical study of mechanical property and thermostability analysis of poly(vinyl alcohol)/graphene oxide nanofiber composites with different architecture: Molecular dynamics simulation

Polymer Composites ◽

10.1002/pc.26314 ◽

2021 ◽

Vol 42 (12) ◽

pp. 6478-6487

Author(s):

Yuhua Wang ◽

Weihua Wang ◽

Ge Yang ◽

Zhiqiang Zhang ◽

Ping Li

Keyword(s):

Mechanical Property ◽

Molecular Dynamics ◽

Graphene Oxide ◽

Molecular Dynamics Simulation ◽

Vinyl Alcohol ◽

Theoretical Study ◽

Dynamics Simulation ◽

Poly Vinyl Alcohol

Download Full-text

Molecular dynamics simulation of the effect of oxygen-containing functional groups on the thermal conductivity of reduced graphene oxide

Computational Materials Science ◽

10.1016/j.commatsci.2018.02.037 ◽

2018 ◽

Vol 148 ◽

pp. 176-183 ◽

Cited By ~ 8

Author(s):

Yingying Sun ◽

Lin Chen ◽

Liu Cui ◽

Yuwen Zhang ◽

Xiaoze Du

Keyword(s):

Thermal Conductivity ◽

Molecular Dynamics ◽

Graphene Oxide ◽

Molecular Dynamics Simulation ◽

Reduced Graphene Oxide ◽

Functional Groups ◽

Dynamics Simulation ◽

Reduced Graphene ◽

Effect Of Oxygen

Download Full-text

Surface-active antimicrobial and anticorrosive Oleo-Polyurethane/graphene oxide nanocomposite coatings: Synergistic effects of in-situ polymerization and π-π interaction

Progress in Organic Coatings ◽

10.1016/j.porgcoat.2018.11.019 ◽

2019 ◽

Vol 127 ◽

pp. 168-180 ◽

Cited By ~ 21

Author(s):

Younes Ahmadi ◽

Sharif Ahmad

Keyword(s):

Graphene Oxide ◽

In Situ Polymerization ◽

Synergistic Effects ◽

Nanocomposite Coatings ◽

Surface Active

Download Full-text