Th e electric field dep endence of hydrogen adsorption on silicon carbi de nanotube

Hydrogen is capable of carrying more en ergy per un it mass tha n fossil fuels [۱], releases no pollutant material such as greenhouse gases, and also is abundant enough to be used by future gener ations. Neve rtheless, th ere is an es sential problem to transport this energy carrier. The researchers working on this field are loo king for the materials which have high capacity to store hydrogen un der ambient temperature and press ure. Recently, using Si, stable materials such a s silicon carbide nanotubes (SiCNTs) have been fabricated[۲]. Among their numerous capabilities, more reactivity of SiCNTs to gases p articularly hydrogen due to their h igher polarity than that of carbon nanotubes ( CNTs) and also boron nitride nanotubes (BNTs)[۳],has b oosted the attention to these nanostructures to find a so lution for t he indispen sable problem of hydro gen storag e. In additi on to these, applying the electric field could be a promising pathw ay to increa se the ads orption of hydrogen o n the surfa ce of polari zable materials [۱]. In th is study we intend to ap ply a transverse electric field on Si CNT.

کلیدواژه ها:

Silic on Carbide Nanotube ، B inding Energy ، Densit y Functional Theory ( DFT) ، Density of States (DOS)