Reference : An Atomistic Study of the Thermoelectric Signatures of CNT Peapods
Scientific journals : Article
Physical, chemical, mathematical & earth Sciences : Multidisciplinary, general & others
Physics and Materials Science
http://hdl.handle.net/10993/47618
An Atomistic Study of the Thermoelectric Signatures of CNT Peapods
English
Rodríguez Méndez, Alvaro [Technical University of Dresden, Dresden, Germany. > Institute for Materials Science and Max Bergmann Center of Biomaterials]
Medrano Sandonas, Leonardo mailto [University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Physics and Materials Science (DPHYMS) >]
Dianat, Arezoo [Technical University of Dresden, Dresden, Germany. > Institute for Materials Science and Max Bergmann Center of Biomaterials]
Gutierrez, Rafael [Technical University of Dresden, Dresden, Germany.]
Cuniberti, Gianaurelio [Technical University of Dresden, Dresden, Germany.]
18-Jun-2021
Journal of Physical Chemistry. C, Nanomaterials and interfaces
American Chemical Society
125
25
13721–13731
Yes (verified by ORBilu)
International
1932-7447
1932-7455
Washington
DC
[en] Thermoelectricity ; Nanomaterials ; Modeling
[en] Carbon-based nanomaterials such as carbon nanotubes (CNTs) have a great potential for applications in the development of high performance thermoelectric (TE) materials because of their low-cost and for being environmentally friendly. Pristine nanotubes have, however, high electrical and thermal conductivities so that further nanoscale engineering is required to exploit them as TE materials. We investigate electron and phonon transport in CNT peapods to elucidate their potential advantage over pristine CNTs as basic TE elements. We show that the electron and phonon transport properties are sensitively modified by C60 encapsulation, when the CNT–C60 intermolecular interaction is strong enough to produce a periodic buckling of the CNT walls. Moreover, the phonon transmission is strongly suppressed at low and high frequencies, leading to a reduction of the phonon contribution to the overall thermal conductance. A similar effect has also been observed in the recently proposed phononic metamaterials. We obtain in general a larger TE figure of merit over a broad temperature range for the CNT peapod when compared with the pristine CNT, achieving an increase by a factor of 2.2 at 575 K. Our findings show an alternative route for the enhancement of the TE performance of CNT-based devices.
http://hdl.handle.net/10993/47618
10.1021/acs.jpcc.1c02611
https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.1c02611

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