Effectiveness of nanoinclusions for reducing bipolar effects in thermoelectric materials

@article{Foster2019EffectivenessON,
  title={Effectiveness of nanoinclusions for reducing bipolar effects in thermoelectric materials},
  author={Samuel Foster and Neophytos Neophytou},
  journal={Computational Materials Science},
  year={2019}
}
Bipolar carrier transport is often a limiting factor in the thermoelectric efficiency of narrow bandgap materials (such as Bi2Te3 and PbTe) at high temperatures due to the introduction of an additional term to the thermal conductivity and a reduction in the Seebeck coefficient. In this work, we present a theoretical investigation into the ability of nanoinclusions to reduce the detrimental effect of bipolar transport. Using the quantum mechanical non equilibrium Greens function (NEGF) transport… Expand
8 Citations
Hierarchically nanostructured thermoelectric materials: challenges and opportunities for improved power factors
Abstract The field of thermoelectric materials has undergone a revolutionary transformation over the last couple of decades as a result of the ability to nanostructure and synthesize myriads ofExpand
Boltzmann Transport Method for Electronic Transport in Complex Bandstructure Materials
The semiclassical Boltzmann Transport Equation (BTE) is key in theoretical calculations of thermoelectric properties, both for electrons and phonons. The chapter will cover the physics ofExpand
Electron transport through nanomaterial interfaces
Abstract The purpose of this review is to describe the important effects of the interfaces on electron transport in nanostructured materials and to provide a brief overview of computational researchExpand
Hybrid-Functional and Quasi-Particle Calculations of Band Structures of Mg2Si, Mg2Ge, and Mg2Sn
We perform hybrid functional and quasi-particle band structure calculations with spin-orbit interaction to investigate the band structures of Mg2Si, Mg2Ge, and Mg2Sn. For all Mg2X materials, where XExpand
Ultra-High Thermoelectric Power Factors in Narrow Gap Materials with Asymmetric Bands
We theoretically unveil the unconventional possibility to achieve extremely high thermoelectric power factors in lightly doped narrow gap semiconductors with asymmetric conduction/valence bands ope...
Reducing the two dimensional Green functions: Fourier mode decomposition
Often we encounter high dimensional differential equations. A clever representation of a generalized solution could be procured in certain cases using Green functions. We show how this representationExpand
Leveraging Deep Levels in Narrow Bandgap Bi 0.5 Sb 1.5 Te 3 for Record‐High zT ave Near Room Temperature
  • Lipeng Hu, Fanchen Meng, +7 authors Jian He
  • Materials Science
  • 2020

References

SHOWING 1-10 OF 96 REFERENCES
Thermoelectric power factor of nanocomposite materials from two-dimensional quantum transport simulations
Nanocomposites are promising candidates for the next generation of thermoelectric materials since they exhibit extremely low thermal conductivities as a result of phonon scattering on the boundariesExpand
The panoscopic approach to high performance thermoelectrics
This review discusses recent developments and current research in high performance bulk thermoelectric materials, comprising nanostructuring, mesostructuring, band alignment, band engineering andExpand
All-scale hierarchical thermoelectrics: MgTe in PbTe facilitates valence band convergence and suppresses bipolar thermal transport for high performance
We report a high ZT of ∼2.0 at 823 K for 2% Na-doped PbTe with 6% MgTe with excellent thermal stability. We attribute the high thermoelectric performance to a synergistic combination of enhancedExpand
SnSe: a remarkable new thermoelectric material
The deceptively simple material SnSe has surprised the scientific community by showing an unexpectedly low thermal conductivity and high power factor and it has become a very promising thermoelectricExpand
Minority carrier barrier heterojunctions for improved thermoelectric efficiency
Abstract We propose and demonstrate the beneficial use of minority carrier blocking layers to lessen bipolar conduction at elevated temperatures and increase the Seebeck coefficient in aExpand
The Fragility of Thermoelectric Power Factor in Cross-Plane Superlattices in the Presence of Nonidealities: A Quantum Transport Simulation Approach
Energy filtering has been put forth as a promising method for achieving large thermoelectric power factors in thermoelectric materials through Seebeck coefficient improvement. Materials with embeddedExpand
Nanostructures boost the thermoelectric performance of PbS.
TLDR
It is demonstrated that these PbS-based materials, which are made primarily from abundant Pb and S, outperform optimally n-type doped pristine PbTe above 770 K and underlines the efficiency of the nanostructuring approach and strongly supports its generality and applicability to other material systems. Expand
Suppression of bipolar conduction via bandgap engineering for enhanced thermoelectric performance of p-type Bi0.4Sb1.6Te3 alloys
Abstract Substitutional doping is known to be effective when used to enhance the thermoelectric figure of merit zT, and this is generally explained as resulting from a reduction in the thermalExpand
Enhanced thermoelectric performance of β-Zn4Sb3 based nanocomposites through combined effects of density of states resonance and carrier energy filtering
TLDR
It is shown that the PF of β-Zn4Sb3 can greatly benefit from both effects of simultaneous resonant distortion in eDOS via Pb-doping and energy filtering via introduction of interface potentials and an approximately twofold reduction of the lattice thermal conductivity due to interface scattering. Expand
Enhanced Phonon Boundary Scattering at High Temperatures in Hierarchically Disordered Nanostructures
Boundary scattering in hierarchically disordered nanomaterials is an effective way to reduce the thermal conductivity of thermoelectric materials and increase their performance. In this work, weExpand
...
1
2
3
4
5
...