Effects of lithium doping on hydrogen storage properties of heat welded random CNT network structures
作者： Cengiz Baykasoglu , Zeynel Ozturk , Mesut Kirca , Alper T. Celebi , Ata Mugan
DOI: 10.1016/J.IJHYDENE.2015.11.182
关键词: Heat fusion 、 Carbon nanotube 、 Nanotechnology 、 Doping 、 Hydrogen 、 Hydrogen storage 、 Molecular dynamics 、 Chemical physics 、 Lithium 、 Atom 、 Materials science
摘要: Abstract This paper presents the effects of lithium doping on hydrogen storage capability heat welded random carbon nanotube (CNT) network structures having different cross-link densities at room temperature. Cluster based and atom strategies are taken into consideration in current simulations. Moreover, ratios used our calculations to clarify effect ratio uptake behavior CNT networks. The generated by using a cyclic stochastic algorithm covalently bonded couplings created applying welding method via molecular dynamic Hydrogen capacity Li-doped networks is investigated Grand Canonical Monte Carlo (GCMC) simulation results show that appreciably enhanced with presence atoms increases as increases. Besides, found be more efficient than cluster under same ratio. Furthermore, also density critical parameter material can improved appropriate choice density.
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