Investigation of Silicon Model Nanotubes as Potential Candidate Nanomaterials for Efficient Hydrogen Storage: A Combined Ab Initio/Grand Canonical Monte Carlo Simulation Study

George P. Lithoxoos; Jannis Samios; Yannick Carissan

doi:10.1021/jp805559a

Investigation of Silicon Model Nanotubes as Potential Candidate Nanomaterials for Efficient Hydrogen Storage: A Combined Ab Initio/Grand Canonical Monte Carlo Simulation Study

The Journal of Physical Chemistry C ◽

10.1021/jp805559a ◽

2008 ◽

Vol 112 (43) ◽

pp. 16725-16728 ◽

Cited By ~ 28

Author(s):

George P. Lithoxoos ◽

Jannis Samios ◽

Yannick Carissan

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Hydrogen Storage ◽

Ab Initio ◽

Simulation Study ◽

Potential Candidate ◽

Grand Canonical Monte Carlo ◽

Monte Carlo Simulation Study ◽

Grand Canonical

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Grand Canonical Monte Carlo Simulation Study of Hydrogen Storage in Ordered Mesoporous Carbons at 303 K

Adsorption Science & Technology ◽

10.1260/026361706779849771 ◽

2006 ◽

Vol 24 (5) ◽

pp. 411-426 ◽

Cited By ~ 4

Author(s):

Piotr Kowalczyk ◽

Mietek Jaroniec ◽

Lech Solarz ◽

Artur P. Terzyk ◽

Piotr A. Gauden

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Hydrogen Storage ◽

Simulation Study ◽

Mesoporous Carbons ◽

Grand Canonical Monte Carlo ◽

Monte Carlo Simulation Study ◽

Ordered Mesoporous Carbons ◽

Ordered Mesoporous ◽

Grand Canonical

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Adsorption of Chlorinated Methane Derivatives at the Ice Surface: A Grand Canonical Monte Carlo Simulation Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.6b11710 ◽

2017 ◽

Vol 121 (14) ◽

pp. 7782-7793 ◽

Cited By ~ 4

Author(s):

Ildikó Sumi ◽

Sylvain Picaud ◽

Pál Jedlovszky

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Simulation Study ◽

Grand Canonical Monte Carlo ◽

Monte Carlo Simulation Study ◽

Ice Surface ◽

Grand Canonical ◽

Chlorinated Methane

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Adsorption of Propylene Oxide on Amorphous Ice under Interstellar Conditions. A Grand Canonical Monte Carlo Simulation Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.0c03722 ◽

2020 ◽

Vol 124 (30) ◽

pp. 16402-16414

Author(s):

Bálint Kiss ◽

Milán Szőri ◽

Pál Jedlovszky

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Propylene Oxide ◽

Simulation Study ◽

Grand Canonical Monte Carlo ◽

Monte Carlo Simulation Study ◽

Amorphous Ice ◽

Grand Canonical

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Hydrogen storage on silicon, carbon, and silicon carbide nanotubes: A combined quantum mechanics and grand canonical Monte Carlo simulation study

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2013.11.037 ◽

2014 ◽

Vol 39 (4) ◽

pp. 1719-1731 ◽

Cited By ~ 20

Author(s):

S.J. Mahdizadeh ◽

E.K. Goharshadi

Keyword(s):

Monte Carlo Simulation ◽

Silicon Carbide ◽

Monte Carlo ◽

Quantum Mechanics ◽

Simulation Study ◽

Grand Canonical Monte Carlo ◽

Monte Carlo Simulation Study ◽

Silicon Carbide Nanotubes ◽

Silicon Carbon ◽

Grand Canonical

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A grand canonical Monte Carlo simulation study of water adsorption in a Vycor-like disordered mesoporous material at 300K.

Characterization of Porous Solids VI, Proceedings of the 6th International Symposium on the Characterization of Porous Solids (COPS-VI) - Studies in Surface Science and Catalysis ◽

10.1016/s0167-2991(02)80157-4 ◽

2002 ◽

pp. 371-378 ◽

Cited By ~ 1

Author(s):

J. Puibasset ◽

R.J.-M. Pellenq

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Simulation Study ◽

Mesoporous Material ◽

Water Adsorption ◽

Grand Canonical Monte Carlo ◽

Monte Carlo Simulation Study ◽

Grand Canonical

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Grand-canonical Monte Carlo simulation study of polyelectrolyte diode

10.1063/1.4772152 ◽

2012 ◽

Cited By ~ 2

Author(s):

Eonji Lee ◽

Ji-hyung Han ◽

Rakwoo Chang ◽

Taek Dong Chung

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Simulation Study ◽

Grand Canonical Monte Carlo ◽

Monte Carlo Simulation Study ◽

Grand Canonical

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A grand canonical Monte Carlo simulation study of water adsorption on Vycor-like hydrophilic mesoporous silica at different temperatures

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/16/45/003 ◽

2004 ◽

Vol 16 (45) ◽

pp. S5329-S5343 ◽

Cited By ~ 17

Author(s):

Joël Puibasset ◽

Roland J-M Pellenq

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Mesoporous Silica ◽

Simulation Study ◽

Water Adsorption ◽

Grand Canonical Monte Carlo ◽

Monte Carlo Simulation Study ◽

Different Temperatures ◽

Grand Canonical

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Grand Canonical Monte Carlo Simulation Study of Water Adsorption in Silicalite at 300 K

The Journal of Physical Chemistry B ◽

10.1021/jp7097153 ◽

2008 ◽

Vol 112 (20) ◽

pp. 6390-6397 ◽

Cited By ~ 68

Author(s):

Joël Puibasset ◽

Roland J.-M. Pellenq

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Simulation Study ◽

Water Adsorption ◽

Grand Canonical Monte Carlo ◽

Monte Carlo Simulation Study ◽

Grand Canonical

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Effects of Functional Group and Surface Roughness on Adsorption of Carbon Dioxide in Porous Glass by Grand Canonical Monte Carlo Simulation Study

The Journal of King Mongkut s University of Technology North Bangkok ◽

10.14416/j.kmutnb.2018.01.010 ◽

2018 ◽

Author(s):

Chontira Boonfung ◽

Niphat Ketprasoet ◽

Chaiyot Tangsathitkulchai ◽

Atichat Wongkoblap

Keyword(s):

Carbon Dioxide ◽

Surface Roughness ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

Simulation Study ◽

Porous Glass ◽

Functional Group ◽

Grand Canonical Monte Carlo ◽

Monte Carlo Simulation Study ◽

Grand Canonical

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Competitive adsorption of methane and ethane in montmorillonite nanopores of shale at supercritical conditions: A grand canonical Monte Carlo simulation study

Chemical Engineering Journal ◽

10.1016/j.cej.2018.08.067 ◽

2019 ◽

Vol 355 ◽

pp. 76-90 ◽

Cited By ~ 57

Author(s):

Sen Wang ◽

Qihong Feng ◽

Farzam Javadpour ◽

Qinhong Hu ◽

Keliu Wu

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Simulation Study ◽

Competitive Adsorption ◽

Grand Canonical Monte Carlo ◽

Monte Carlo Simulation Study ◽

Supercritical Conditions ◽

Grand Canonical ◽

Adsorption Of Methane

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