Thermoelectric properties of nanostructured tetrathiotetracene iodide crystals: 3D modeling
A more complete three-dimensional (3D) physical model for nanostructured crystals of tetrathiotetracene iodide, TTT2I3 is presented. Therestrictions on the thermoelectric figure of merit ZT that this model involves are determined. At the same time, the criteria of application of simplified 1D model...
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| Format: | Article |
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Elsevier
2015
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| Online Access: | https://eprints.nottingham.ac.uk/31242/ |
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| author | Casian, A.I. Sanduleac, I.I. |
| author_facet | Casian, A.I. Sanduleac, I.I. |
| author_sort | Casian, A.I. |
| building | Nottingham Research Data Repository |
| collection | Online Access |
| description | A more complete three-dimensional (3D) physical model for nanostructured crystals of tetrathiotetracene iodide, TTT2I3 is presented. Therestrictions on the thermoelectric figure of merit ZT that this model involves are determined. At the same time, the criteria of application of simplified 1D model are defined more precisely. In TTT2I3 crystals the carriers are holes. As earlier, two interaction mechanisms of holes with acoustic phonons are considered, generalized for 3D case. One interaction is similar to that of polaron and other to that of deformation potential. Interaction of carriers with impurities and defects is also taken into account. Along chains (x direction) the transport mechanism is of the band type, but in the transversal directions it is of hopping type. The electrical conductivity σxx, the thermopower (Seebeck coefficient) Sxx the electronic thermal conductivity Kexx and (ZT)xx along the conductive chains have been modelled for the first time in the 3D model. Optimal parameters which predict a considerable increase of (ZT)xx are determined. |
| first_indexed | 2025-11-14T19:11:45Z |
| format | Article |
| id | nottingham-31242 |
| institution | University of Nottingham Malaysia Campus |
| institution_category | Local University |
| last_indexed | 2025-11-14T19:11:45Z |
| publishDate | 2015 |
| publisher | Elsevier |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | nottingham-312422020-05-04T17:10:55Z https://eprints.nottingham.ac.uk/31242/ Thermoelectric properties of nanostructured tetrathiotetracene iodide crystals: 3D modeling Casian, A.I. Sanduleac, I.I. A more complete three-dimensional (3D) physical model for nanostructured crystals of tetrathiotetracene iodide, TTT2I3 is presented. Therestrictions on the thermoelectric figure of merit ZT that this model involves are determined. At the same time, the criteria of application of simplified 1D model are defined more precisely. In TTT2I3 crystals the carriers are holes. As earlier, two interaction mechanisms of holes with acoustic phonons are considered, generalized for 3D case. One interaction is similar to that of polaron and other to that of deformation potential. Interaction of carriers with impurities and defects is also taken into account. Along chains (x direction) the transport mechanism is of the band type, but in the transversal directions it is of hopping type. The electrical conductivity σxx, the thermopower (Seebeck coefficient) Sxx the electronic thermal conductivity Kexx and (ZT)xx along the conductive chains have been modelled for the first time in the 3D model. Optimal parameters which predict a considerable increase of (ZT)xx are determined. Elsevier 2015-06-11 Article PeerReviewed Casian, A.I. and Sanduleac, I.I. (2015) Thermoelectric properties of nanostructured tetrathiotetracene iodide crystals: 3D modeling. Materials Today: Proceedings, 2 (2). pp. 504-509. ISSN 2214-7853 Tetrathiotetracene iodide; nanostructured crystals; electrical conductivity; thermopower; thermoelectric figure of merit http://www.sciencedirect.com/science/article/pii/S2214785315001406 doi:10.1016/j.matpr.2015.05.069 doi:10.1016/j.matpr.2015.05.069 |
| spellingShingle | Tetrathiotetracene iodide; nanostructured crystals; electrical conductivity; thermopower; thermoelectric figure of merit Casian, A.I. Sanduleac, I.I. Thermoelectric properties of nanostructured tetrathiotetracene iodide crystals: 3D modeling |
| title | Thermoelectric properties of nanostructured tetrathiotetracene iodide crystals: 3D modeling |
| title_full | Thermoelectric properties of nanostructured tetrathiotetracene iodide crystals: 3D modeling |
| title_fullStr | Thermoelectric properties of nanostructured tetrathiotetracene iodide crystals: 3D modeling |
| title_full_unstemmed | Thermoelectric properties of nanostructured tetrathiotetracene iodide crystals: 3D modeling |
| title_short | Thermoelectric properties of nanostructured tetrathiotetracene iodide crystals: 3D modeling |
| title_sort | thermoelectric properties of nanostructured tetrathiotetracene iodide crystals: 3d modeling |
| topic | Tetrathiotetracene iodide; nanostructured crystals; electrical conductivity; thermopower; thermoelectric figure of merit |
| url | https://eprints.nottingham.ac.uk/31242/ https://eprints.nottingham.ac.uk/31242/ https://eprints.nottingham.ac.uk/31242/ |