Monte Carlo simulation of hydrogen physisorption in K-doped single walled carbon nanotube array

Properties of hydrogen physisorption in K-doped single walled carbon nanotube array (SWCNTA) are investigated in detail by grand canonical Monte Carlo simulation. The optimization of hydrogen storage capacity at 293 K and 10 MPa as a function of K-doping schemes, K atoms' doped-sites, and SWCNTA configuration is discussed.