Relaxation Properties of Silicon Functionalized Graphene: A Molecular Dynamics Simulation

Dynamics Simulation ◽

Functionalized Graphene ◽

Relaxation Properties

Edge-Functionalized Graphene as a Nanofiller: Molecular Dynamics Simulation Study

Macromolecules ◽

10.1021/acs.macromol.5b01782 ◽

2015 ◽

Vol 48 (24) ◽

pp. 9024-9038 ◽

Cited By ~ 33

Author(s):

Petra Bačová ◽

Anastassia N. Rissanou ◽

Vagelis Harmandaris

Keyword(s):

Molecular Dynamics ◽

Simulation Study ◽

Dynamics Simulation ◽

Molecular dynamics simulation of the fold of alkyl groups with different lengths when n-hexane molecules forming ordered structure on their functionalized graphene

Surface Science ◽

10.1016/j.susc.2021.121965 ◽

2021 ◽

pp. 121965

Author(s):

Jun Xia Shi ◽

Hua Yang ◽

Shu Ya Xing ◽

Hui Zhang

Keyword(s):

Molecular Dynamics ◽

Dynamics Simulation ◽

Functionalized Graphene ◽

Ordered Structure ◽

Alkyl Groups

Molecular dynamics simulation of functionalized graphene surface for high efficient loading of doxorubicin

Journal of Molecular Structure ◽

10.1016/j.molstruc.2017.04.007 ◽

2017 ◽

Vol 1141 ◽

pp. 441-450 ◽

Cited By ~ 17

Author(s):

Mohammad Masoud Mirhosseini ◽

Mahmoud Rahmati ◽

Seyed Shahrooz Zargarian ◽

Reza Khordad

Keyword(s):

Molecular Dynamics ◽

Dynamics Simulation ◽

Functionalized Graphene ◽

Graphene Surface ◽

High Efficient ◽

Efficient Loading

Molecular Dynamics Simulation on Dielectric Constant and Thermal Conductivity of Crosslink Epoxy/functionalized graphene Nano-composites

IOP Conference Series Materials Science and Engineering ◽

10.1088/1757-899x/761/1/012009 ◽

2020 ◽

Vol 761 ◽

pp. 012009

Author(s):

L Shen ◽

L Zou ◽

M Ding ◽

T Zhao ◽

L Zhang ◽

...

Keyword(s):

Thermal Conductivity ◽

Molecular Dynamics ◽

Dielectric Constant ◽

Dynamics Simulation ◽

Nano Composites ◽

Molecular dynamics simulation of lactate dehydrogenase adsorption onto pristine and carboxylic-functionalized graphene

Molecular Simulation ◽

10.1080/08927022.2019.1632447 ◽

2019 ◽

Vol 45 (16) ◽

pp. 1305-1311

Author(s):

Salman Ahmadi ◽

Mohammad Saba Yousef Mardoukhi ◽

Mahmoud Salehi ◽

Sharareh Sajjadi ◽

Amir Homayoun Keihan

Keyword(s):

Molecular Dynamics ◽

Lactate Dehydrogenase ◽

Dynamics Simulation ◽

Tunable thermal rectification in silicon-functionalized graphene nanoribbons by molecular dynamics simulation

International Journal of Thermal Sciences ◽

10.1016/j.ijthermalsci.2015.07.004 ◽

2015 ◽

Vol 98 ◽

pp. 24-31 ◽

Cited By ~ 14

Author(s):

Kunpeng Yuan ◽

Mingman Sun ◽

Zhaoliang Wang ◽

Dawei Tang

Keyword(s):

Molecular Dynamics ◽

Graphene Nanoribbons ◽

Dynamics Simulation ◽

Functionalized Graphene ◽

Thermal Rectification

Atomistic molecular dynamics simulation study on the mechanical behavior and dispersion of surface functionalized graphene/polypropylene nanocomposites

Functional Composites and Structures ◽

10.1088/2631-6331/ab50ff ◽

2019 ◽

Vol 1 (4) ◽

pp. 045007

Author(s):

Seunghwa Yang ◽

Jeong-ha Lee

Keyword(s):

Molecular Dynamics ◽

Mechanical Behavior ◽

Simulation Study ◽

Dynamics Simulation ◽

Functionalized Graphene ◽

Polypropylene Nanocomposites

Molecular dynamics simulation and finite element analysis on mechanical behavior of oxygen functionalized graphene/polymer nanocomposites

Journal of Mechanical Science and Technology ◽

10.1007/s12206-018-1230-5 ◽

2019 ◽

Vol 33 (1) ◽

pp. 307-314 ◽

Cited By ~ 9

Author(s):

Seunghwa Yang ◽

Hyunseong Shin ◽

Maenghyo Cho

Keyword(s):

Molecular Dynamics ◽

Finite Element Analysis ◽

Finite Element ◽

Mechanical Behavior ◽

Polymer Nanocomposites ◽

Dynamics Simulation ◽

Functionalized Graphene ◽

Element Analysis

Molecular dynamics simulation of the thermal conductivity of silicon functionalized graphene

Acta Physica Sinica ◽

10.7498/aps.63.074401 ◽

2014 ◽

Vol 63 (7) ◽

pp. 074401

Author(s):

Hui Zhi-Xin ◽

He Peng-Fei ◽

Dai Ying ◽

Wu Ai-Hui

Keyword(s):

Thermal Conductivity ◽

Molecular Dynamics ◽

Dynamics Simulation ◽

Glass transition temperature of functionalized graphene epoxy composites using molecular dynamics simulation

Integrated Ferroelectrics ◽

10.1080/10584587.2017.1370331 ◽

2018 ◽

Vol 186 (1) ◽

pp. 106-114 ◽

Cited By ~ 24

Author(s):

Anurag Yadav ◽

Amit Kumar ◽

Pradeep K. Singh ◽

Kamal Sharma

Keyword(s):

Molecular Dynamics ◽

Glass Transition ◽

Transition Temperature ◽

Glass Transition Temperature ◽

Dynamics Simulation ◽

Epoxy Composites ◽