This work focuses on determining the influence of both ionic liquid (IL) type and redox couple concentration on Seebeck coefficient values of such a system. The quantitative structure property relationship (QSPR) and read-across techniques are proposed as methods to identify structural features of ILs (mixed with LiI/I2 redox couple), which have the most influence on the Seebeck coefficient (Se) values of the system. ILs consisting of small, symmetric cations and anions with high values of vertical electron binding energy are recognized as those with the highest values of Se. In addition, the QSPR model enables the values of Se to be predicted for each IL that belongs to the applicability domain of the model. The influence of the redox-couple concentration on values of Se is also quantitatively described. Thus, it is possible to calculate how the value of Se will change with changing redox-couple concentration. The presence of the LiI/I2 redox couple in lower concentrations increases the values of Se, as expected.
Authors
- dr inż. Anita Sosnowska link open in new tab ,
- Maciej Barycki,
- Agnieszka Gajewicz,
- dr hab. Maciej Bobrowski link open in new tab ,
- dr Sylwia Freza link open in new tab ,
- prof. dr hab. Piotr Skurski link open in new tab ,
- mgr Stefanie Uhl,
- dr Edith Laux,
- Tony Journot,
- Laure Jeandupeux,
- prof. Herbert Keppner,
- dr hab. Tomasz Puzyn link open in new tab
Additional information
- DOI
- Digital Object Identifier link open in new tab 10.1002/cphc.201600080
- Category
- Publikacja w czasopiśmie
- Type
- artykuł w czasopiśmie wyróżnionym w JCR
- Language
- angielski
- Publication year
- 2016
