First principles study of electronic and thermoelectric performance of Li intercalated MoSe < inf> 2 nanotubes
Document Type
Conference Proceeding
Publication Date
5-19-2017
Abstract
© 2017 Author(s). We present a comparative study of pristine and Li intercalated MoSe2 nanotube of armchair (6, 6) and zigzag (10, 0) chirality within the framework of density functional theory (DFT). Pristine nanotube is found to have band gap which vanishes upon Li intercalation. Additionally, Li intercalation results in reduction of room temperature ZTe for armchair MoSe2 nanotube and enhancement in ZTe for intercalated zigzag MoSe2 nanotube as compared to respective pristine nanotubes. Our results suggest that Li intercalation leads to a relatively high Seeback coefficient which may enhance the thermoelectric performance of zigzag MoSe2 nanotube.
Publication Title
AIP Conference Proceedings
Recommended Citation
Sharma, M.,
Kumar, A.,
Pandey, R.,
&
Ahluwalia, P.
(2017).
First principles study of electronic and thermoelectric performance of Li intercalated MoSe < inf> 2 nanotubes.
AIP Conference Proceedings,
1832.
http://doi.org/10.1063/1.4980818
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/9014