A molecular dynamics study of the effect of the substrate on the thermodynamic properties of bound Pt–Cu bimetallic nanoclusters

Hamed Akbarzadeh; Amir Nasser Shamkhali; Mohsen Abbaspour; Sirous Salemi; Zeinab Attaran

doi:10.1039/c6cp04522g

A molecular dynamics study of the effect of the substrate on the thermodynamic properties of bound Pt–Cu bimetallic nanoclusters

Physical Chemistry Chemical Physics ◽

10.1039/c6cp04522g ◽

2016 ◽

Vol 18 (31) ◽

pp. 21730-21736 ◽

Cited By ~ 8

Author(s):

Hamed Akbarzadeh ◽

Amir Nasser Shamkhali ◽

Mohsen Abbaspour ◽

Sirous Salemi ◽

Zeinab Attaran

Keyword(s):

Molecular Dynamics ◽

Silicon Carbide ◽

Molecular Dynamics Simulation ◽

Boron Nitride ◽

Thermodynamic Properties ◽

Dynamics Simulation ◽

Single Walled Carbon ◽

Bimetallic Nanoclusters ◽

Silicon Carbide Nanotubes

In this work confinement of the Pt708Cu707 bimetallic nanocluster in single-walled carbon, boron nitride, and silicon carbide nanotubes was investigated using molecular dynamics simulation.

Download Full-text

Molecular dynamics simulation of salt rejection through silicon carbide nanotubes as a nanostructure membrane

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2016.11.017 ◽

2017 ◽

Vol 71 ◽

pp. 176-183 ◽

Cited By ~ 15

Author(s):

Alireza Khataee ◽

Golchehreh Bayat ◽

Jafar Azamat

Keyword(s):

Molecular Dynamics ◽

Silicon Carbide ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Salt Rejection ◽

Silicon Carbide Nanotubes

Download Full-text

Adsorption and immobilisation of human insulin on graphene monoxide, silicon carbide and boron nitride nanosheets investigated by molecular dynamics simulation

Molecular Simulation ◽

10.1080/08927022.2016.1270452 ◽

2017 ◽

Vol 43 (4) ◽

pp. 298-311 ◽

Cited By ~ 5

Author(s):

Maryam Atabay ◽

Jaber Jahanbin Sardroodi ◽

Alireza Rastkar Ebrahimzadeh

Keyword(s):

Molecular Dynamics ◽

Silicon Carbide ◽

Molecular Dynamics Simulation ◽

Boron Nitride ◽

Human Insulin ◽

Dynamics Simulation ◽

Boron Nitride Nanosheets

Download Full-text

Melting of Single-Walled Silicon Carbide Nanotubes: Density Functional Molecular Dynamics Simulation

Chinese Physics Letters ◽

10.1088/0256-307x/27/10/106101 ◽

2010 ◽

Vol 27 (10) ◽

pp. 106101 ◽

Cited By ~ 6

Author(s):

Wang Sheng-Jie ◽

Zhang Chun-Lai ◽

Wang Zhi-Guo

Keyword(s):

Molecular Dynamics ◽

Silicon Carbide ◽

Molecular Dynamics Simulation ◽

Density Functional ◽

Dynamics Simulation ◽

Silicon Carbide Nanotubes

Download Full-text

Molecular dynamics simulation of single-walled silicon carbide nanotubes immersed in water

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2013.04.012 ◽

2013 ◽

Vol 44 ◽

pp. 33-43 ◽

Cited By ~ 19

Author(s):

Fariba Taghavi ◽

Soheila Javadian ◽

Seyed Majid Hashemianzadeh

Keyword(s):

Molecular Dynamics ◽

Silicon Carbide ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Silicon Carbide Nanotubes

Download Full-text

Molecular-dynamics simulation of structural and thermodynamic properties of boron nitride

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/10/23/006 ◽

1998 ◽

Vol 10 (23) ◽

pp. 4975-4984 ◽

Cited By ~ 77

Author(s):

W Sekkal ◽

B Bouhafs ◽

H Aourag ◽

M Certier

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Boron Nitride ◽

Thermodynamic Properties ◽

Dynamics Simulation

Download Full-text

Molecular dynamics simulation of pressure-driven water flow in silicon-carbide nanotubes

The Journal of Chemical Physics ◽

10.1063/1.3663620 ◽

2011 ◽

Vol 135 (20) ◽

pp. 204509 ◽

Cited By ~ 34

Author(s):

Mahdi Khademi ◽

Muhammad Sahimi

Keyword(s):

Molecular Dynamics ◽

Silicon Carbide ◽

Molecular Dynamics Simulation ◽

Water Flow ◽

Dynamics Simulation ◽

Silicon Carbide Nanotubes ◽

Pressure Driven

Download Full-text

Separation of nitrate ion from water using silicon carbide nanotubes as a membrane: Insights from molecular dynamics simulation

Computational Materials Science ◽

10.1016/j.commatsci.2016.03.046 ◽

2016 ◽

Vol 119 ◽

pp. 74-81 ◽

Cited By ~ 14

Author(s):

Alireza Khataee ◽

Jafar Azamat ◽

Golchehreh Bayat

Keyword(s):

Molecular Dynamics ◽

Silicon Carbide ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Nitrate Ion ◽

Silicon Carbide Nanotubes

Download Full-text

Exploring the Changes in the Structure of α-Helical Peptides Adsorbed onto a Single Walled Carbon Nanotube Using Classical Molecular Dynamics Simulation

The Journal of Physical Chemistry B ◽

10.1021/jp106177n ◽

2010 ◽

Vol 114 (44) ◽

pp. 14048-14058 ◽

Cited By ~ 43

Author(s):

K. Balamurugan ◽

R. Gopalakrishnan ◽

S. Sundar Raman ◽

V. Subramanian

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Helical Peptides ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon ◽

Classical Molecular Dynamics

Download Full-text

Molecular dynamics simulation model for the quantitative assessment of tool wear during single point diamond turning of cubic silicon carbide

Computational Materials Science ◽

10.1016/j.commatsci.2011.07.052 ◽

2012 ◽

Vol 51 (1) ◽

pp. 402-408 ◽

Cited By ~ 69

Author(s):

Saurav Goel ◽

Xichun Luo ◽

Robert L. Reuben

Keyword(s):

Molecular Dynamics ◽

Silicon Carbide ◽

Molecular Dynamics Simulation ◽

Tool Wear ◽

Simulation Model ◽

Quantitative Assessment ◽

Single Point ◽

Diamond Turning ◽

Dynamics Simulation ◽

Cubic Silicon Carbide

Download Full-text

Molecular dynamics simulation of thermodynamic properties and local structure of Na2CO3-K2CO3 eutectic salt during phase transition

Journal of Energy Storage ◽

10.1016/j.est.2021.103221 ◽

2021 ◽

Vol 43 ◽

pp. 103221

Author(s):

Yunkun Lu ◽

Gaoqun Zhang ◽

Junjie Hao ◽

Jingcen Zhang ◽

Liang Chang ◽

...

Keyword(s):

Phase Transition ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Thermodynamic Properties ◽

Local Structure ◽

Dynamics Simulation ◽

Eutectic Salt

Download Full-text