Theoretical Investigation of Hydrogen Adsorption into Carbon Nanotube and Si/Ge Surface in Fuel Cell: Decrease of Environment Pollutants

Abstract

The use of engineered nanoparticles (NPs) in industrial and household applications will very likely lead to the release of such materials into the environment. Assessing the risks of these NPs in the environment requires an understanding of their mobility, reactivity, ecotoxicity, and persistency. Today there is a growing need for alternative and clean fuels that can replace our growing dependence on fossil fuels for vehicular propulsion. One such fuel is hydrogen, the most abundant element in the universe. It also creates no pollutants when burned as a fuel. However, due to its explosiveness, an efficient storage method is needed for hydrogen to become a replacement for gasoline. We study the structural, properties thermodynamic of absorption H 2 on nanocrystalline silicon germanium films (Si/Ge) and across in length Si/Ge nanotube by calculation computed in different temperatures. Carbon nanotubes are a possible solution to the storage of hydrogen in fuel cell-powered vehicles due to their low density, high strength, and hydrogen adsorption characteristics. Carbon nanotubes (CNTs) are well-ordered, high-aspect-ratio allotropes of carbon. Density function theory (DFT) method was carried out to investigate the H 2 adsorption in the (4,4) armchair single-walled carbon nanotube (SWCNT) in different temperatures. Current work surrounding hydrogen storage in carbon nanotubes is aimed at investigating the mechanisms of hydrogen adsorption into carbon nanotubes by GUSSIAN 03 Package program. © 2010 Copyright Taylor and Francis Group, LLC.