First-principles studies of SnS2 nanotubes: a potential semiconductor nanowire.
First principles calculations are used to predict the stability and electronic structures of SnS(2) nanotubes. Optimization of several structures and their corresponding strain energies confirm the stability of SnS(2) nanotube structures. Band structure calculations show that SnS(2) nanotubes could have moderate band gaps regardless of their chirality. It suggests that SnS(2) nanotubes would be well-suited to use as semiconductor wires in nanoelectronic devices if they are synthesized. Adsorption of NH(3) onto SnS(2) is also investigated and discussed with regard to potential sensor application.
Chang
Hyunju
H
In
Eunjeong
E
Kong
Ki-Jeong
KJ
Lee
Jeong-O
JO
Choi
Youngmin
Y
Ryu
Beyong-Hwan
BH
D000327:Adsorption; D000641:Ammonia / Q000737:chemistry; D008958:Models, Molecular; D043942:Nanotubes / Q000737:chemistry*; D053770:Nanowires / Q000737:chemistry*; D010316:Particle Size; D012666:Semiconductors; D013440:Sulfides / Q000737:chemistry*; D013499:Surface Properties; D017971:Tin Compounds / Q000737:chemistry*
D013440:Sulfides; D017971:Tin Compounds; C078041:tin sulfide; D000641:Ammonia