Molecular dynamics studies of interaction between hydrogenand carbon nano-carriers

Keywords

Graphene, Fullerene, Hydrogen, Carbon nanotube, Carbon fibers

References

• Modeling complexes of H2 molecules in fullerenesHelena Dodziuk — 2005
• Statistical Mechanics: Theory and Molecular SimulationMark E. Tuckerman — 2010
• Theoretical Study of Hydrogen Storage in Ca-Coated Fullerenes.Qian Wang, Qiang Sun, Puru Jena — 2009
• Enhanced Hydrogen Storage on Li-Dispersed Carbon NanotubesWei Liu, Yonghao Zhao, Y. Li — 2009
• Methane carbon dioxide reforming for hydrogen production in a compact reformer - a modeling studyMeng Ni — 2013
• Dynamic mechanical analysis of silicone rubber reinforced with multi-walled carbon nanotubesRui Li, Lizhi Sun — 2011
• A fresh look at dense hydrogen under pressure. I. an introduction to the problem, and an index probing equalization of H-H distances.Vanessa Labet, Paulina Gonzalez‐Morelos, Roald Hoffmann — 2012
• Hydrogen storage in nanostructured carbons by spillover: bridge-building enhancement.Anthony J. Lachawiec, Gongshin Qi, Ralph T. Yang — 2005
• Endohedral hydrogen exchange reactions in C60 (nH2@C60, n = 1-5): comparison of recent methods in a high-pressure cooker.Taebum Lee, Michael L. McKee — 2008
• Hydrogen storage by spillover on graphene as a phase nucleation processLin Yu, Feng Ding, Boris I. Yakobson — 2008
• Multiscale approach to predict the effective elastic behavior of nanoparticle-reinforced polymer compositesB.R. Kim, Sukhoon Pyo, Guillaume Lemaire — 2011
• Graphane: a two-dimensional hydrocarbonJorge O. Sofo, Ajay Chaudhari, Greg D. Barber — 2006
• Significantly enhanced hydrogen storage in metal-organic frameworks via spillover.Yingwei Li, Ralph T. Yang — 2006
• Nanotube-derived carbon foam for hydrogen sorption.Feng Ding, Lin Yu, Павел О. Краснов — 2007
• Hydrogenation of single-wall carbon nanotubes using polyamine reagents: combined experimental and theoretical study.Glen P. Miller, Jeremy Kintigh, Eunja Kim — 2008
• Calculated properties of fully hydrogenated single layers of BN, BC2N, and graphene: Graphane and its BN-containing analoguesF. W. Averill, James R. Morris, Valentino R. Cooper — 2009
• Measurements of hydrogen spillover in platinum doped superactivated carbon.Nicholas P. Stadie, Justin Purewal, Channing C. Ahn — 2010
• Hydrogen uptake by graphene and nucleation of graphaneLeonidas Tsetseris, Sokrates T. Pantelides — 2012
• Controlling Cross Section of Carbon Nanotubes via Selective HydrogenationGuangfen Wu, Jinlan Wang, Xiao Cheng Zeng — 2010
• Accurate Quantum Chemical Description of Non-Covalent Interactions in Hydrogen Filled Endohedral Fullerene ComplexesHolger Kruse, Stefan Grimme — 2009

Cited by

• Energy and force transition between atoms and continuum in quasicontinuum methodShu‐Wei Chang, Ying-Pao Liao, Chang‐Wei Huang — 2014
• An analytical study on the nonlinear vibration of a double-walled carbon nanotubeAli Hajnayeb, S.E. Khadem — 2015
• Indentation Behavior of Metallic Glass Via Molecular Dynamics SimulationC. Wu, Y. Wang — 2019

Related papers

• Electronic Structure Calculations on Fullerenes and Their DerivativesJerzy Ciosłowski — 1995
• Synthesis and characterisation of some new ferrocenyl- and ferrocenylalkynyl-[60]fullerene compoundsDavid J. Cardin, Trevor Gibson, Jason A. Peel — 1997
• Probing the spatial requirements for [60]fullerene-[60]fullerene π-stacking and the syn addition of [60]fullerenes across acenesGlen P. Miller, Jonathan B. Briggs — 2004
• Size analysis of single fullerene molecules by electron microscopyAnish Goel, Jack B. Howard, J. B. Vander Sande — 2004
• Hydrogenation of [76]-, [78]- and [84]-fullerenes: cage degradationAdam D. Darwish, Harold W. Kroto, Roger Taylor — 1996
• STRUCTURES AND STABILITIES OF CARBON FULLERENESC.Z. Wang, Bin Zhang, Chunhui Xu — 1992
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• Progress of Novel Structures of FullereneLan‐Sun Zheng — 2011
• RESEARCH DEVELOPMENTS OF THE METHODS FOR PREPARING FULLERENESYan Xiao — 2000