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Title: Manipulating thermal and electronic transports in thermoelectric Bi 2 Te 3 nanowires by porphyrin adsorption

We report decoupling the electronic thermal and electrical conductivities is one of the limitations hindering a breakthrough in thermoelectric efficiency. After a conformal surface coating of bismuth telluride nanowires (Bi 2Te 3 NWs) by porphyrins, the thermal conductivity increases from 0.8 to 1.0 Wm -1K -1 at 300 K without any obvious change in electrical conductivity. Density Functional Theory (DFT) calculations assisted by Boltzmann Transport Equation (BTE) simulations of electronic transport properties indicate that the electronic thermal transport is enhanced by the depletion of surface charge carriers, which results in transition from metallic to semiconducting behavior. Thus, the adsorption of porphyrin onto the Bi 2Te 3 NWs layer suppresses the surface electronic conduction, resulting in thermal electronic conduction dictated by the bulk of the NW. In conclusion, the results mean that electronic thermal transport can be decoupled from the electrical conductivity by changing the density of surface states on Bi 2Te 3 NWs.
Authors:
 [1] ;  [2] ;  [3] ;  [4] ;  [5] ;  [3] ;  [2] ;  [6]
  1. New Mexico State Univ., Las Cruces, NM (United States)
  2. Technion - Israel Institute of Technology, Haifa (Israel)
  3. Indiana Univ., Bloomington, IN (United States)
  4. Univ. of New Mexico, Albuquerque, NM (United States)
  5. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
  6. New Mexico State Univ., Las Cruces, NM (United States); Manhattan College, Riverdale, NY (United States)
Publication Date:
Report Number(s):
SAND-2018-11180J
Journal ID: ISSN 2158-3226; 669576
Grant/Contract Number:
AC04-94AL85000; NA0003525
Type:
Accepted Manuscript
Journal Name:
AIP Advances
Additional Journal Information:
Journal Volume: 8; Journal Issue: 10; Journal ID: ISSN 2158-3226
Publisher:
American Institute of Physics (AIP)
Research Org:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; thermal conductivity; surface electronic conduction; nanowires; porphyrin; firstprinciples calculations
OSTI Identifier:
1483976

Song, Erdong, Baranovskiy, Andrei, Xu, Enzhi, Busani, Tito, Swartzentruber, Brian, Zhang, Shixiong, Amouyal, Yaron, and Martinez, Julio A. Manipulating thermal and electronic transports in thermoelectric Bi 2 Te 3 nanowires by porphyrin adsorption. United States: N. p., Web. doi:10.1063/1.5046385.
Song, Erdong, Baranovskiy, Andrei, Xu, Enzhi, Busani, Tito, Swartzentruber, Brian, Zhang, Shixiong, Amouyal, Yaron, & Martinez, Julio A. Manipulating thermal and electronic transports in thermoelectric Bi 2 Te 3 nanowires by porphyrin adsorption. United States. doi:10.1063/1.5046385.
Song, Erdong, Baranovskiy, Andrei, Xu, Enzhi, Busani, Tito, Swartzentruber, Brian, Zhang, Shixiong, Amouyal, Yaron, and Martinez, Julio A. 2018. "Manipulating thermal and electronic transports in thermoelectric Bi 2 Te 3 nanowires by porphyrin adsorption". United States. doi:10.1063/1.5046385. https://www.osti.gov/servlets/purl/1483976.
@article{osti_1483976,
title = {Manipulating thermal and electronic transports in thermoelectric Bi 2 Te 3 nanowires by porphyrin adsorption},
author = {Song, Erdong and Baranovskiy, Andrei and Xu, Enzhi and Busani, Tito and Swartzentruber, Brian and Zhang, Shixiong and Amouyal, Yaron and Martinez, Julio A.},
abstractNote = {We report decoupling the electronic thermal and electrical conductivities is one of the limitations hindering a breakthrough in thermoelectric efficiency. After a conformal surface coating of bismuth telluride nanowires (Bi2Te3 NWs) by porphyrins, the thermal conductivity increases from 0.8 to 1.0 Wm-1K-1 at 300 K without any obvious change in electrical conductivity. Density Functional Theory (DFT) calculations assisted by Boltzmann Transport Equation (BTE) simulations of electronic transport properties indicate that the electronic thermal transport is enhanced by the depletion of surface charge carriers, which results in transition from metallic to semiconducting behavior. Thus, the adsorption of porphyrin onto the Bi2Te3 NWs layer suppresses the surface electronic conduction, resulting in thermal electronic conduction dictated by the bulk of the NW. In conclusion, the results mean that electronic thermal transport can be decoupled from the electrical conductivity by changing the density of surface states on Bi2Te3 NWs.},
doi = {10.1063/1.5046385},
journal = {AIP Advances},
number = 10,
volume = 8,
place = {United States},
year = {2018},
month = {10}
}

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