Journal
NANO ENERGY
Volume 22, Issue -, Pages 338-348Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.nanoen.2016.02.028
Keywords
Thermoelectrics; Nanocomposites; Hybrid materials; Inorganic-organic interfaces; Atomic Layer Deposition; Ab initio calculations
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Funding
- European Research Council under the European Union's Seventh Framework Programme (FP)/ERC Advanced Grant [339478]
- Aalto Energy Efficiency Research Programme
- Alfred Kordelin Foundation
- Foundation for Research of Natural Resources in Finland [1759/13]
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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. (C) 2016 Elsevier Ltd. All rights reserved.
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