First-Principles Studies of SnS2 Nanotubes
H. Chang, E. In, K-J Kong, J-O Lee, Y. Choi and B-H Ryu
Korea Research Institute of Chemical Technology, KR
SnS2, metal-chalcogenide, nanotubes, first principles, gas sensors
First principles calculations are used to predict the stability and electronic structures of SnS2 nanotubes. Optimization of several structures and their corresponding strain energies confirms the stability of SnS2 nanotube structures. Band structure calculations show that SnS2 nanotubes could have moderate band gaps regardless of their chirality. It suggests that SnS2 nanotubes would be well suited to use as semiconductor wires in nanoelectronic devices if they are synthesized. Adsorption of NH3 onto SnS2 is also investigated and discussed with regard to potential sensor application.
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Nanotech 2005 Conference Program Abstract