Superior thermoelectric response in the 3R phases of hydrated NaxRhO2
KAUST DepartmentPhysical Sciences and Engineering (PSE) Division
MetadataShow full item record
AbstractDensity functional theory is used to investigate the thermoelectric properties of the 3R phases of NaxRhO2 for different Na vacancy configurations and concentrations. As compared to the analogous 2H phases, the modified stacking of the atomic layers in the 3R phases reduces the interlayer coupling. As a consequence, the 3R phases are found to be superior in the technologically relevant temperature range. The Rh d3z2-r2 orbitals still govern the valence band maxima and therefore determine the transport properties. A high figure of merit of 0.35 is achieved in hydrated Na0.83RhO2 at 580 K by water intercalation, which is 34% higher than in the non-hydrated phase.
CitationSaeed Y, Singh N, Schwingenschlögl U (2014) Superior thermoelectric response in the 3R phases of hydrated NaxRhO2. Sci Rep 4. doi:10.1038/srep04390.
PublisherNature Publishing Group
PubMed Central IDPMC3955903
The following license files are associated with this item:
Except where otherwise noted, this item's license is described as This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivs 3.0 Unported License. To view a copy of this license, visit http://creativecommons.org/licenses/by-nc-nd/3.0/
- Detection and quantification of 2H and 3R phases in commercial graphene-based materials.
- Authors: Seehra MS, Geddam UK, Schwegler-Berry D, Stefaniak AB
- Issue date: 2015 Dec
- High thermoelectric performance from optimization of hole-doped CuInTe2.
- Authors: Zhou G, Wang D
- Issue date: 2016 Feb 17
- Raising the thermoelectric performance of p-type PbS with endotaxial nanostructuring and valence-band offset engineering using CdS and ZnS.
- Authors: Zhao LD, He J, Hao S, Wu CI, Hogan TP, Wolverton C, Dravid VP, Kanatzidis MG
- Issue date: 2012 Oct 3
- A supercell approach to the doping effect on the thermoelectric properties of SnSe.
- Authors: Suzuki Y, Nakamura H
- Issue date: 2015 Nov 28
- Valence Band Modification and High Thermoelectric Performance in SnTe Heavily Alloyed with MnTe.
- Authors: Tan G, Shi F, Hao S, Chi H, Bailey TP, Zhao LD, Uher C, Wolverton C, Dravid VP, Kanatzidis MG
- Issue date: 2015 Sep 9