Abnormal change of melting points of gold nanoparticles confined between two-layer graphene nanosheets

RSC Advances ◽  
2016 ◽  
Vol 6 (110) ◽  
pp. 108343-108346 ◽  
Author(s):  
Gang Wang ◽  
Nanhua Wu ◽  
Jinjian Wang ◽  
Jingling Shao ◽  
Xiaolei Zhu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Gold Nanoparticles ◽  
Molecular Dynamics Simulation ◽  
Melting Temperature ◽  
Graphene Nanosheets ◽  
Dynamics Simulation ◽  
Nanoparticle Size ◽  
Melting Points ◽  
Layer Graphene ◽  
Reasonable Explanation

A molecular dynamics simulation demonstrated that the melting temperature of gold nanoparticles confined in two-layer graphene nanosheets was indicated to decrease with nanoparticle size and a reasonable explanation is provided.

Molecular dynamics simulation of cytotoxicity of graphene nanosheets to blood-coagulation protein

2017 ◽  
Vol 12 (1) ◽  
pp. 01A403 ◽  
Author(s):  
Byeong Cheol Jo ◽  
Hyun Jung Yoon ◽  
Myoung-Ryul Ok ◽  
Sangwook Wu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Blood Coagulation ◽  
Graphene Nanosheets ◽  
Dynamics Simulation ◽  
Coagulation Protein

Theoretical Study of Alkanedithiolated Gold Clusters

2012 ◽  
Vol 1371 ◽  
Author(s):  
J. M. Cabrera-Trujillo ◽  
R. Jiménez-Cataño
Keyword(s):  
Molecular Dynamics ◽  
Gold Nanoparticles ◽  
Molecular Dynamics Simulation ◽  
Room Temperature ◽  
Theoretical Study ◽  
Gold Cluster ◽  
Gold Clusters ◽  
Dynamics Simulation ◽  
Temperature Structure ◽  
Reactive Molecular Dynamics

ABSTRACTA reactive molecular dynamics simulation study on the structure, energetics, and chemistry of alkanethiolated gold cluster is presented. Through very recent reactive molecular dynamics force-fields developed by Järvi et al. [1], chemical reactions of alkanedithiolates and star-like shape gold nanoparticles are studied throughout octanedithiolates and stellated cuboctahedral gold clusters models [2] at room temperature. Structure, energetics, reactants, and some products of the reactions are preliminarily analyzed up to 25 ps. In general, preliminary results of this work are in agreement with those reported in the review by Love et al. [3].

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