Layer-by-layer design of nanostructured thermoelectrics: First-principles study of ZnO: Organic superlattices fabricated by ALD/MLD
No Thumbnail Available
Access rights
openAccess
acceptedVersion
URL
Journal Title
Journal ISSN
Volume Title
A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
This publication is imported from Aalto University research portal.
View publication in the Research portal (opens in new window)
View/Open full text file from the Research portal (opens in new window)
Other link related to publication (opens in new window)
View publication in the Research portal (opens in new window)
View/Open full text file from the Research portal (opens in new window)
Other link related to publication (opens in new window)
Date
2016-04-01
Department
Major/Subject
Mcode
Degree programme
Language
en
Pages
11
Series
Nano Energy, Volume 22, pp. 338-348
Abstract
Crystalline atomic/molecular layer deposited ZnO:organic superlattices form a fundamentally new exciting family of coherent multilayered thermoelectric materials. They retain the n-type electrical transport properties derived from the parent ZnO lattice, while the organic molecular layers reduce the thermal conductivity. The controlled nanostructuring opens up the possibility of improving the thermoelectric characteristics of the parent oxide. Here we employ quantum chemical methods to rationalize our experimental results on the ZnO:organic superlattices and determine the thermoelectric structure-property relationships arising from the nanoscale layer-by-layer engineering of ZnO. Our results reveal the importance of systematic tailoring of the organic superlattice component and provide us with atomic-level guidelines for the rational design of novel hybrid inorganic-organic thermoelectrics.Description
| openaire: EC/FP7/339478/EU//LAYERENG-HYBMAT
Keywords
Ab initio calculations, Atomic Layer Deposition, Hybrid materials, Inorganic-organic interfaces, Nanocomposites, Thermoelectrics
Other note
Citation
Karttunen, A J, Tynell, T & Karppinen, M 2016, ' Layer-by-layer design of nanostructured thermoelectrics : First-principles study of ZnO: Organic superlattices fabricated by ALD/MLD ', Nano Energy, vol. 22, pp. 338-348 . https://doi.org/10.1016/j.nanoen.2016.02.028