Hydrogen storage via silver-aluminum bimetallic nanoparticle supported on different shapes defect on carbon nanotube

摘要

Molecular dynamics simulation has been performed for H2 gas adsorption for silver nanoparticle supported on different shapes of defect in carbon nanotube (CNT). Square, rectangle and line defects in CNT has been investigated for H2 gas adsorption for silver nanoparticle supported on CNT. Different Size of silver nanoparticle, aluminum doping in silver nanoparticle and different temperature has been investigated for H2 storage on silver nanoparticle supported in CNT with different defect shapes. Diffusion coefficient for silver nanoparticle supported on square defect shapes of CNT is more than diffusion coefficient of silver nanoparticle supported on other defect shapes of CNT. Irreversibility structure is observed in silver nanoparticle supported on all shapes defect of CNT and irreversibility structure for silver supported in line defect shapes of CNT is more strong than other defect shapes of CNT. There is none monotonic behavior for H2 adsorption as a function of Aluminum doping on surface of silver-aluminum bimetallic nanocluster on square and line defect shapes of CNT. In current case study, by engineering the size of Aluminum nano particle, it is possible to reach certain international standards goals for H2 storage which is set by the United States Department of Energy (DOE). (c) 2021 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.