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Vanishing Thermal Conductance of Carbon Nanotube upon Encapsulation by Zigzag Sulfur Chain
S KOLEY, S SEN, S CHAKRABARTI
Published in American Chemical Society
2018
Volume: 9
   
Issue: 11
Pages: 3105 - 3109
Abstract
We report an unprecedented enhancement of thermoelectric properties of a single-walled carbon nanotube upon encapsulation of a zigzag sulfur chain inside the nanocore. Our calculations on a 70 Å long [5, 5] carbon nanotube reveal that the encapsulation of zigzag sulfur chain will lead to a 107% increase in the thermoelectric figure of merit and concomitant quenching of thermal conductance by 90%. We have noticed that finite transmission gradient at the Fermi level combined with destructive quantum interference at the sulfur sites and structural conformation-dependent scattering-induced damping of phonon transmission are attributed to the dramatic improvement of thermoelectric behavior of this material. This finding indeed will help circumvent the long-standing problem in the fabrication of carbon-nanotube-based ultrafast device. © 2018 American Chemical Society.
About the journal
JournalData powered by TypesetJournal of Physical Chemistry Letters
PublisherData powered by TypesetAmerican Chemical Society
ISSN1948-7185