Adsorption of sarin on MgO nanotubes: Role of doped and defect sites
Most stable conformer of sarin was determined. Structural and electronic characteristics of MgO nanotube modify on doping with Ti. Adsorption of sarin is exothermic on both perfect and Ti-doped MgO nanotubes. Adsorption of sarin on defect sites of MgO nanotube was studied. Sarin decomposes destructively on oxygen and MgO defect sites. Our research on decomposition of sarin on this different form of nanosurface, i.e., MgO nanotube, can pave the way for designing a novel decontamination system.
adsorption sarin nanotube defects chemical warfare agent