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In this present study Density Function Theory (DFT) method was used to determine geometrical, electronic and adsorption proprieties. In this study assume that 0 eV is ideal adsorption energy because all interaction strength gave positive value. Result show that during interaction of gas molecule with surface of carbon nano tube sence methane (CH4) gas physically grater than carbon dioxide (CO2) and sulfide dihydride (H2S) because interaction energy approximately to ideal zero. Result show that also, resulting from physical adsorption any effect on electronic and geometrical priorities was absence. Molecular orbital and energy gap doesn’t effect during adsorption process. Charge transfer show that very small electrons transport between interaction systems.
Jasim et al. (Sat,) studied this question.