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R. M. Balabai and P. V. Merzlikin
«The Choice of Silicon Nanostructures for CH4 Detection: Ab Initio Calculation»
PACS numbers: 07.07.Df, 68.43.Bc, 68.47.Fg, 71.15.-m, 73.20.-r, 73.22.Dj, 82.47.Rs
The paper focuses on the ab initio theoretical study of the silicon nanostructures’ sensitivity to adsorption of CH4 molecules. The electronic properties of porous silicon, silicon nanoclusters in a vacuum, silicon nanowires, and nanoscale silicon film are examined. The analysis of results shows that silicon nanofilm is most sensitive to CH4 adsorption as compared with nanoclusters, nanowires, and porous silicon.